Geometry & MOs

Info

ID:	167650
PubChem CID:	74852519
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	417.105561
ΔH_f, kcal/mol:	-75.2
Dipole, Da:	4.73
IP(EA), eV:	-8.72(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[4-(difluoromethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC(=CC=C1)OC)C(=O)C=CC2=C(C=CS2)C

DOS

IR

Vibrations