Geometry & MOs

Info

ID:	196772
PubChem CID:	78876507
Reduced:	SN2O4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	440.184841
ΔH_f, kcal/mol:	-134.33
Dipole, Da:	5.08
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-(4-cyano-2-methoxyphenoxy)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COCC2CC2)S(=O)(=O)N(C)C

DOS

IR

Vibrations