Geometry & MOs

Info

ID:	208897
PubChem CID:	80601104
Reduced:	SN3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	316.0245
ΔH_f, kcal/mol:	12.22
Dipole, Da:	5.74
IP(EA), eV:	-8.73(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-methyl-N-(thian-2-ylmethyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNCC2CCCCS2

DOS

IR

Vibrations