Geometry & MOs

Info

ID:	30734
PubChem CID:	841779
Reduced:	BrNSO2C14H22 (1)
Stoich.:	ABCD2E14F22 (1)
Weight, g/mol:	347.05546
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	4.23
IP(EA), eV:	-9.43(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N,N-bis[(2S)-butan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N([C@@H](C)CC)S(=O)(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations