Geometry & MOs

Info

ID:	172805
PubChem CID:	75555598
Reduced:	SO3N4C27H32 (1)
Stoich.:	AB3C4D27E32 (1)
Weight, g/mol:	457.251147
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	6.88
IP(EA), eV:	-8.54(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-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

CC1=CC(=CC=C1)C2=CSC3C2NC(NC3=O)N4CCC(CC4)C(=O)NCC5=CC=C(C=C5)OC

DOS

IR

Vibrations