Geometry & MOs

Info

ID:	33874
PubChem CID:	7888540
Reduced:	ON3S3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	412.102768
ΔH_f, kcal/mol:	70.12
Dipole, Da:	1.02
IP(EA), eV:	-9.01(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CS1)C(=O)CSC2=NC=NC3=C2C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations