Geometry & MOs

Info

ID:	62055
PubChem CID:	26717296
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	453.135842
ΔH_f, kcal/mol:	-138.32
Dipole, Da:	9.37
IP(EA), eV:	-9.01(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations