Geometry & MOs

Info

ID:	33313
PubChem CID:	7885902
Reduced:	N2S2O4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-92.95
Dipole, Da:	1.77
IP(EA), eV:	-8.69(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-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(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC(=C(C=C3)O)O)CC=C)C

DOS

IR

Vibrations