Geometry & MOs

Info

ID:	58545
PubChem CID:	24702277
Reduced:	BrNSO2C9H12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-71.46
Dipole, Da:	4.52
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-carbamothioyl-N-(2,3-dihydro-1H-inden-5-yl)benzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC1=CC=CC=C1Br

DOS

IR

Vibrations