Geometry & MOs

Info

ID:	135111
PubChem CID:	51815612
Reduced:	SN3O7C26H27 (1)
Stoich.:	AB3C7D26E27 (1)
Weight, g/mol:	525.156971
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	1.14
IP(EA), eV:	-9.67(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonylmethylamino]-2-oxoethyl]-3-nitro-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C1=CC=C(C=C1)O)C(=O)NCS(=O)(=O)C2=CC=C(C=C2)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations