Geometry & MOs

Info

ID:	174165
PubChem CID:	75733347
Reduced:	N2O2C27H32 (1)
Stoich.:	A2B2C27D32 (1)
Weight, g/mol:	473.162057
ΔH_f, kcal/mol:	-49.56
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[2-[(4-methylphenyl)sulfonylmethylamino]-1-(4-nitrophenyl)-2-oxoethyl]-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC2=CC=CC=C2C3=CC=CC=C31)N(CCC)C(=O)C(=C)C

DOS

IR

Vibrations