Geometry & MOs

Info

ID:	204390
PubChem CID:	79958586
Reduced:	SN3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	342.04015
ΔH_f, kcal/mol:	10.49
Dipole, Da:	5.75
IP(EA), eV:	-8.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoanilino)-5,5-dimethylthiane-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CSC1)(CN)N(C)CCC2=CC=NC=C2)C

DOS

IR

Vibrations