Geometry & MOs

Info

ID:	175060
PubChem CID:	75850144
Reduced:	Cl2O3N4H16C22 (1)
Stoich.:	A2B3C4D16E22 (1)
Weight, g/mol:	447.141676
ΔH_f, kcal/mol:	11.33
Dipole, Da:	4.63
IP(EA), eV:	-8.39(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-6-(3-methoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)Cl)C4=CC=CC=C4Cl

DOS

IR

Vibrations