Geometry & MOs

Info

ID:	302703
PubChem CID:	124392040
Reduced:	SN2O5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	393.099457
ΔH_f, kcal/mol:	-178.74
Dipole, Da:	3.94
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC)C

DOS

IR

Vibrations