Geometry & MOs

Info

ID:	68189
PubChem CID:	46507934
Reduced:	FON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	412.081696
ΔH_f, kcal/mol:	-52.92
Dipole, Da:	2.14
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-4-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC(C1=CC=C(C=C1)F)C2=NC=CN2C

DOS

IR

Vibrations