Geometry & MOs

Info

ID:	128996
PubChem CID:	51065673
Reduced:	FN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	440.107375
ΔH_f, kcal/mol:	-60.46
Dipole, Da:	2.04
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-anilino-3-oxopropyl)-5-chloro-2-[(4-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)NC(=O)C(C)OC3=CC=CC=C3F)C=CC=N2

DOS

IR

Vibrations