Geometry & MOs

Info

ID:	179580
PubChem CID:	76503101
Reduced:	O3N5C12H21 (1)
Stoich.:	A3B5C12D21 (1)
Weight, g/mol:	484.17467
ΔH_f, kcal/mol:	-107.86
Dipole, Da:	9.6
IP(EA), eV:	-9.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[4-(4-carbamimidoylphenyl)benzoyl]-1-(2-carbamoylphenyl)-2-oxopyrrolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1=C(N=CN1C(=O)C(CCCCN)N)CC(C(=O)O)N

DOS

IR

Vibrations