Geometry & MOs

Info

ID:	134559
PubChem CID:	51714538
Reduced:	SCl2N3O3H19C20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	451.052418
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	3.37
IP(EA), eV:	-8.26(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2,6-dichlorophenyl)-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=C2Cl)Cl)C(=O)NC3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations