Geometry & MOs

Info

ID:	413632
PubChem CID:	135086581
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-158.95
Dipole, Da:	6.16
IP(EA), eV:	-10.2(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-5-methoxyphenyl)-1-(1-phenylimidazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C=C)C2CCCCC2

DOS

IR

Vibrations