Geometry & MOs

Info

ID:	62146
PubChem CID:	26717760
Reduced:	S2N3O4C22H25 (1)
Stoich.:	A2B3C4D22E25 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-100.74
Dipole, Da:	10.04
IP(EA), eV:	-9.07(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-3-[(4-tert-butylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations