Geometry & MOs

Info

ID:	235143
PubChem CID:	92304118
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	407.133734
ΔH_f, kcal/mol:	49.81
Dipole, Da:	5.48
IP(EA), eV:	-9.25(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-(4-methylcyclohexyl)benzamide

Drug info:

PubChemData

Smile

CC1=C([C@H](N2C(=N1)N=CN2)C3=CC=NC=C3)C(=O)OCC=C

DOS

IR

Vibrations