Geometry & MOs

Info

ID:	174385
PubChem CID:	75758686
Reduced:	ClN2O4C21H27 (1)
Stoich.:	AB2C4D21E27 (1)
Weight, g/mol:	518.127835
ΔH_f, kcal/mol:	-149.97
Dipole, Da:	4.78
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloroacetyl)-[(5-methylfuran-2-yl)methyl]amino]-2-(4-methoxyphenyl)-N-[(4-methylphenyl)sulfonylmethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC=C(C=C2)OC)C(=O)NC(C)(C)C)C(=O)CCl

DOS

IR

Vibrations