Geometry & MOs

Info

ID:	188773
PubChem CID:	77763909
Reduced:	S2N5O7C29H47 (1)
Stoich.:	A2B5C7D29E47 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-290.85
Dipole, Da:	10.83
IP(EA), eV:	-9.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[1-amino-5-(3-aminophenyl)-2-oxopentyl]-2-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCNS(=O)(=O)CC(C(C(CC1CCCCC1)NC(CC2=CN(C=N2)S(=O)(=O)CCC3=CC=CC=C3)C(=O)N)O)O

DOS

IR

Vibrations