Geometry & MOs

Info

ID:	188780
PubChem CID:	77764655
Reduced:	N4O7C20H26 (1)
Stoich.:	A4B7C20D26 (1)
Weight, g/mol:	595.300599
ΔH_f, kcal/mol:	-288.67
Dipole, Da:	4.83
IP(EA), eV:	-9.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-amino-1-[[4-[(1-tert-butylpyrrolidine-2-carbonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(C(C(=O)N1CC(=O)O)CCC(=O)O)C(=O)CNC(=O)C2=CC=C(C=C2)CCN

DOS

IR

Vibrations