Geometry & MOs

Info

ID:	62423
PubChem CID:	26719702
Reduced:	ClNO2H7C11 (2)
Stoich.:	ABC2D7E11 (2)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	7.8
IP(EA), eV:	-8.71(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations