Geometry & MOs

Info

ID:	64323
PubChem CID:	29199101
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	5.65
IP(EA), eV:	-8.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations