Geometry & MOs

Info

ID:	133170
PubChem CID:	51486866
Reduced:	ClSN4O4C16H17 (1)
Stoich.:	ABC4D4E16F17 (1)
Weight, g/mol:	364.088651
ΔH_f, kcal/mol:	-68.66
Dipole, Da:	12.68
IP(EA), eV:	-9.37(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)S[C@@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations