Geometry & MOs

Info

ID:	26994
PubChem CID:	810295
Reduced:	SN3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	341.119798
ΔH_f, kcal/mol:	76.12
Dipole, Da:	0.94
IP(EA), eV:	-8.12(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3,4-dimethyl-N-(4-methylphenyl)-2-oxo-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=CS2)C3=CC=C(C=C3)N

DOS

IR

Vibrations