Geometry & MOs

Info

ID:	60001
PubChem CID:	26663017
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	477.154469
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	8.31
IP(EA), eV:	-9.28(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CC=C3

DOS

IR

Vibrations