Geometry & MOs

Info

ID:

214809

PubChem CID:

85083679

Reduced:

O7N8C29H42 (1)

Stoich.:

A7B8C29D42 (1)

Weight, g/mol:

614.312915

ΔHf, kcal/mol:

-293.21

Dipole, Da:

5.8

IP(EA), eV:

 -9.45(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-acetamido-N-[1-[[3-(aminomethyl)-1-[(4-fluorophenyl)methyl]indol-5-yl]amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(C)C1C(=O)N(C(C(=O)NCC(=O)NC(C(=O)NC2CCCC3=C2C=C(C=C3)C(=O)N1)CC(=O)O)CCCN=C(N)N)C

DOS

IR

Vibrations