Geometry & MOs

Info

ID:	308468
PubChem CID:	125333180
Reduced:	ON2C4H4 (3)
Stoich.:	AB2C4D4 (3)
Weight, g/mol:	377.06009
ΔH_f, kcal/mol:	-0.02
Dipole, Da:	2.96
IP(EA), eV:	-9.61(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (2R)-2-[[(5R)-4-(4-chlorophenyl)-5-cyano-6-oxo-5H-pyrimidin-2-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N\NC(=O)CN[C@@H]2C(=O)NC(=O)N=N2

DOS

IR

Vibrations