Geometry & MOs

Info

ID:	176770
PubChem CID:	76096576
Reduced:	O4C25H26 (1)
Stoich.:	A4B25C26 (1)
Weight, g/mol:	515.253255
ΔH_f, kcal/mol:	-125.2
Dipole, Da:	3.21
IP(EA), eV:	-9.2(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[benzyl-(2,2-diphenylacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1(CC(C(O1)CO)O)OC2=CC=CC(=C2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations