Geometry & MOs

Info

ID:	170232
PubChem CID:	75210099
Reduced:	O3N6C23H32 (1)
Stoich.:	A3B6C23D32 (1)
Weight, g/mol:	490.090011
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	5.43
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)CCN1C2=CC=CC=C2N=C1NC(=O)CN3C4CCCCC4C(=O)NC3=O

DOS

IR

Vibrations