Geometry & MOs

Info

ID:	149695
PubChem CID:	53789369
Reduced:	S3O9H18C23 (1)
Stoich.:	A3B9C18D23 (1)
Weight, g/mol:	438.299476
ΔH_f, kcal/mol:	-277.89
Dipole, Da:	8.25
IP(EA), eV:	-9.11(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-amino-2-[3-aminopropanoyl(2-phenylethyl)amino]-N-(3-phenylpropyl)hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC=C2S(=O)(=O)O)OS(=O)(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations