Geometry & MOs

Info

ID:	340146
PubChem CID:	127262155
Reduced:	FN4O5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	610.290368
ΔH_f, kcal/mol:	-145.65
Dipole, Da:	6.64
IP(EA), eV:	-9.73(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-3-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

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(CCC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)[C@H](CO)N

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

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(CCC2=CC(=C(C=C2)F)[N+](=O)[O-])C(=O)[C@H](CO)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):