Geometry & MOs

Info

ID:	170716
PubChem CID:	75270999
Reduced:	SO2N4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	468.255898
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	6.62
IP(EA), eV:	-8.66(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-1-[7-(2-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2NC3C(C(=O)N2)SC=C3C4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

DOS

IR

Vibrations