Geometry & MOs

Info

ID:	131609
PubChem CID:	51234514
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	319.081305
ΔH_f, kcal/mol:	8.43
Dipole, Da:	4.09
IP(EA), eV:	-8.78(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-prop-2-enyl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1SC(C)C(=O)NC3=NOC(=C3)C

DOS

IR

Vibrations