Geometry & MOs

Info

ID:	383534
PubChem CID:	134975313
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	508.182064
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	5.49
IP(EA), eV:	-8.82(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5R)-2-benzyl-5-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C2N1OC(CC2C3=CC=CC=C3)(C)C)C(=O)OC

DOS

IR

Vibrations