Geometry & MOs

Info

ID:	185841
PubChem CID:	77358271
Reduced:	O3N6C31H34 (1)
Stoich.:	A3B6C31D34 (1)
Weight, g/mol:	529.199505
ΔH_f, kcal/mol:	10.14
Dipole, Da:	10.12
IP(EA), eV:	-8.93(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(benzylcarbamoyl)-4-carbamimidoylpyrrolidin-1-yl]-3-(methanesulfonamido)-4-oxobutyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)CC5=CC(=CC=C5)C(=O)O)C

DOS

IR

Vibrations