Geometry & MOs

Info

ID:	141144
PubChem CID:	52825638
Reduced:	N5O5C22H25 (1)
Stoich.:	A5B5C22D25 (1)
Weight, g/mol:	465.118084
ΔH_f, kcal/mol:	-120.84
Dipole, Da:	9.63
IP(EA), eV:	-8.83(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(3-hydroxyphenyl)ethyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCCC(=O)NC2=NNC(=N2)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations