Geometry & MOs

Info

ID:	387157
PubChem CID:	134984225
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-49.29
Dipole, Da:	6.06
IP(EA), eV:	-9.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[hydroxy(propan-2-yl)amino]-3-methylbutan-2-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@@H]1C=C[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations