Geometry & MOs

Info

ID:	175261
PubChem CID:	75875508
Reduced:	ON3C16H33 (1)
Stoich.:	AB3C16D33 (1)
Weight, g/mol:	409.182398
ΔH_f, kcal/mol:	-94.63
Dipole, Da:	3.41
IP(EA), eV:	-8.6(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclohexyl(phenyl)methyl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(CC(C)C)CNC(=O)NC1CCCC1

DOS

IR

Vibrations