Geometry & MOs

Info

ID:	134558
PubChem CID:	51714481
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	451.052418
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	7.28
IP(EA), eV:	-9.32(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2,6-dichlorophenyl)-N-(2,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=N\NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations