Geometry & MOs

Info

ID:	134834
PubChem CID:	51766114
Reduced:	ClN3O4C29H40 (1)
Stoich.:	AB3C4D29E40 (1)
Weight, g/mol:	510.218843
ΔH_f, kcal/mol:	-114.26
Dipole, Da:	2.49
IP(EA), eV:	-9.52(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(furan-2-yl)-2-[hexyl-(2-phenylacetyl)amino]-N-[(4-methylphenyl)sulfonylmethyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCN([C@H](C1=CC=C(C=C1)Cl)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations