Geometry & MOs

Info

ID:	33350
PubChem CID:	7886033
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	1.71
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-methylcyclohexyl]-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

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

DOS

IR

Vibrations