Geometry & MOs

Info

ID:	185238
PubChem CID:	77273109
Reduced:	FON5H28C29 (1)
Stoich.:	ABC5D28E29 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	71.98
Dipole, Da:	5.33
IP(EA), eV:	-8.84(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[[4-(3-methylphenyl)phenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC1CN(CC(N1)C)CC2=CC=C(C=C2)C3C(C4=C5C(=N3)C=CC=C5C(=O)N=N4)C6=CC=C(C=C6)F

DOS

IR

Vibrations