Geometry & MOs

Info

ID:	244736
PubChem CID:	99381275
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	389.131031
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	7.65
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(imidazol-1-ylmethyl)-N-[2-(1-methylimidazol-2-yl)sulfanylphenyl]benzamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@@H](C1)C(=O)NC2=CC=CC=C2SC3=NC=CN3C

DOS

IR

Vibrations