Geometry & MOs

Info

ID:	178465
PubChem CID:	76333284
Reduced:	SO3N4H10C18 (1)
Stoich.:	AB3C4D10E18 (1)
Weight, g/mol:	367.129884
ΔH_f, kcal/mol:	51.19
Dipole, Da:	3.48
IP(EA), eV:	-9.4(-2.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-tert-butyl 3-O-methyl 4-(4-chloro-1H-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=CC(=O)N=NC4=O

DOS

IR

Vibrations