Geometry & MOs

Info

ID:	351125
PubChem CID:	127279683
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	396.107854
ΔH_f, kcal/mol:	-97.7
Dipole, Da:	3.45
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-thiochromen-4-yl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2CCN(CC2)C(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations