Geometry & MOs

Info

ID:	158071
PubChem CID:	56462769
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	491.235497
ΔH_f, kcal/mol:	-143.55
Dipole, Da:	6.3
IP(EA), eV:	-8.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-phenyl-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)NC(=O)COC

DOS

IR

Vibrations