Geometry & MOs

Info

ID:	219782
PubChem CID:	85164891
Reduced:	N3O8C32H43 (1)
Stoich.:	A3B8C32D43 (1)
Weight, g/mol:	597.295119
ΔH_f, kcal/mol:	-305.56
Dipole, Da:	3.02
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-phenylbutyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(C)CC2CCC(C(O2)OC3C(CC(C4C3OC(=O)N4C)OC)NC(=O)OCC5=CC=CC=C5)O

DOS

IR

Vibrations