Geometry & MOs

Info

ID:	30291
PubChem CID:	841095
Reduced:	BrO2N3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	323.074678
ΔH_f, kcal/mol:	-18.77
Dipole, Da:	2.48
IP(EA), eV:	-8.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1S)-1-(4-methylphenyl)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations