Geometry & MOs

Info

ID:	38090
PubChem CID:	8026940
Reduced:	ClN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	5.39
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)Cl)OC(=O)C2=NNC3=CC=CC=C32

DOS

IR

Vibrations