Geometry & MOs

Info

ID:	412400
PubChem CID:	135085291
Reduced:	SN3O4C35H45 (1)
Stoich.:	AB3C4D35E45 (1)
Weight, g/mol:	304.97213
ΔH_f, kcal/mol:	-96.23
Dipole, Da:	1.98
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-bromo-3-oxopropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC=C1)OCC)NC(=S)O[C@H](C2CC3CCN2CC3C=C)C4=C5C=C(C=CC5=NC=C4)OCCC(C)C

DOS

IR

Vibrations