Geometry & MOs

Info

ID:	68190
PubChem CID:	46507936
Reduced:	SF3O3N4H15C17 (1)
Stoich.:	AB3C3D4E15F17 (1)
Weight, g/mol:	479.149047
ΔH_f, kcal/mol:	-187.63
Dipole, Da:	4.62
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-2-propan-2-yloxyphenyl)-6-methyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)OC(F)(F)F)C

DOS

IR

Vibrations