Geometry & MOs

Info

ID:	134898
PubChem CID:	51777663
Reduced:	NOC13H22 (2)
Stoich.:	ABC13D22 (2)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-148.02
Dipole, Da:	3.5
IP(EA), eV:	-9.3(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(E,2R)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxopent-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C)C(=O)C[C@@H](C)C1=CC=CC=C1

DOS

IR

Vibrations