Geometry & MOs

Info

ID:	302242
PubChem CID:	124360858
Reduced:	N2O7C28H32 (1)
Stoich.:	A2B7C28D32 (1)
Weight, g/mol:	508.220951
ΔH_f, kcal/mol:	-288.32
Dipole, Da:	11.47
IP(EA), eV:	-9.51(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)propanoylamino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid

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

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)O

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

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)N[C@H](CC3=CC=CC=C3)C(=O)N[C@@H](C(C)C)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):