Geometry & MOs

Info

ID:	172804
PubChem CID:	75555453
Reduced:	SO2N3C14H25 (1)
Stoich.:	AB2C3D14E25 (1)
Weight, g/mol:	492.219512
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	9.01
IP(EA), eV:	-9.04(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSC1NC(CC(=O)N1)CC(=O)N2CCC(CC2)C

DOS

IR

Vibrations