Geometry & MOs

Info

ID:	242577
PubChem CID:	97857418
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	211.103085
ΔH_f, kcal/mol:	-22.84
Dipole, Da:	3.82
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-3-[(R)-methylsulfinyl]aniline

Drug info:

PubChemData

Smile

CC[C@@H](C)NC1=CC(=CC=C1)[S@@](=O)C

DOS

IR

Vibrations