Geometry & MOs

Info

ID:	355716
PubChem CID:	127289789
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	46.15
Dipole, Da:	3.83
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C#N)NC(=O)CCN3CCC4=CN=CN=C4C3

DOS

IR

Vibrations