Geometry & MOs

Info

ID:	33291
PubChem CID:	7885853
Reduced:	N2O2S2C19H22 (1)
Stoich.:	A2B2C2D19E22 (1)
Weight, g/mol:	373.065176
ΔH_f, kcal/mol:	-51.71
Dipole, Da:	3.56
IP(EA), eV:	-8.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-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

C=CCN1C(=O)C2=C(N=C1S[C@H]3CCCCC3=O)SC4=C2CCCC4

DOS

IR

Vibrations