Geometry & MOs

Info

ID:	220184
PubChem CID:	85165336
Reduced:	PSiN2O10C31H49 (1)
Stoich.:	ABC2D10E31F49 (1)
Weight, g/mol:	668.368619
ΔH_f, kcal/mol:	-549.42
Dipole, Da:	6.63
IP(EA), eV:	-8.71(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOP(=O)(C(C(=O)OC(C)(C)C)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)CCC(CO[Si](C)(C)C(C)(C)C)O)OCC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOP(=O)(C(C(=O)OC(C)(C)C)N1C(C(C1=O)N2C(=O)C3=CC=CC=C3C2=O)CCC(CO[Si](C)(C)C(C)(C)C)O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):