Geometry & MOs

Info

ID:

163982

PubChem CID:

74381231

Reduced:

ClON4H19C20 (1)

Stoich.:

ABC4D19E20 (1)

Weight, g/mol:

745.350737

ΔHf, kcal/mol:

30.99

Dipole, Da:

6.07

IP(EA), eV:

 -9.1(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)C(C)NC3=CN=CC(=N3)Cl

DOS

IR

Vibrations