Geometry & MOs

Info

ID:	306975
PubChem CID:	125264496
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	488.188212
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	5.63
IP(EA), eV:	-9.36(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1[C@@H](N=C2C3=CC=CC=C3N=C2C1=O)SCC(=O)NCC(=O)OCC

DOS

IR

Vibrations