Geometry & MOs

Info

ID:	33376
PubChem CID:	7886141
Reduced:	N2S2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	396.125612
ΔH_f, kcal/mol:	-44.55
Dipole, Da:	3.35
IP(EA), eV:	-8.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-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

COC(=O)CSC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC=C

DOS

IR

Vibrations