Geometry & MOs

Info

ID:	176485
PubChem CID:	76058192
Reduced:	S2N4O7C18H22 (1)
Stoich.:	A2B4C7D18E22 (1)
Weight, g/mol:	503.220036
ΔH_f, kcal/mol:	-245.91
Dipole, Da:	7.51
IP(EA), eV:	-10.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(2-chloro-6-methylphenyl)-3-[[4-[3-(tetrazolidin-5-yl)pyridin-2-yl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CC(=O)N(C(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O)S(=O)(=O)N

DOS

IR

Vibrations