Geometry & MOs

Info

ID:	442029
PubChem CID:	135248130
Reduced:	SO3N5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	373.136117
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	2.04
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyanophenyl)methyl]-4-methylidene-2-piperidin-1-ylthieno[3,2-d]pyrimidine-7-carbonitrile

Drug info:

PubChemData

Smile

CCCC(=O)CCNC(=O)C1=CSC2=C1N=C(N(C2=O)CC3=CC=CC=C3C#N)N4CCCCC4

DOS

IR

Vibrations