Geometry & MOs

Info

ID:	204391
PubChem CID:	79958932
Reduced:	BrOSN2C14H19 (1)
Stoich.:	ABCD2E14F19 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-38.81
Dipole, Da:	2.19
IP(EA), eV:	-8.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethylamino)-5,5-dimethylthiane-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(CSC1)(C(=O)N)NC2=CC=CC=C2Br)C

DOS

IR

Vibrations