Geometry & MOs

Info

ID:	135335
PubChem CID:	51852508
Reduced:	SN2O4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	385.119319
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	4.08
IP(EA), eV:	-9.44(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-benzyl-4-(3-chloro-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3S(=O)(=O)N2CC#N)O

DOS

IR

Vibrations