Geometry & MOs

Info

ID:	136802
PubChem CID:	52102882
Reduced:	FN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	377.080968
ΔH_f, kcal/mol:	-110.4
Dipole, Da:	3.54
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2,4-difluorophenyl)-N-(4-fluorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)N3CCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations