Geometry & MOs

Info

ID:	33288
PubChem CID:	7885836
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	355.099063
ΔH_f, kcal/mol:	-36.17
Dipole, Da:	3.77
IP(EA), eV:	-8.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4)C

DOS

IR

Vibrations