Geometry & MOs

Info

ID:	134562
PubChem CID:	51714541
Reduced:	SF2N3O3H19C20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	439.192963
ΔH_f, kcal/mol:	-151.75
Dipole, Da:	2.7
IP(EA), eV:	-8.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(4-tert-butylphenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=S)N1)C2=C(C=CC=C2F)F)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations