Geometry & MOs

Info

ID:	442022
PubChem CID:	135248032
Reduced:	SO3N6C24H26 (1)
Stoich.:	AB3C6D24E26 (1)
Weight, g/mol:	431.177982
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	2.98
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyanophenyl)methyl]-N-cyclopropyl-4-methylidene-2-piperidin-1-ylthieno[3,2-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)CNC(=O)C1=CSC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCC[C@H](C4)N

DOS

IR

Vibrations