Geometry & MOs

Info

ID:	44176
PubChem CID:	10501325
Reduced:	INO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	403.18173
ΔH_f, kcal/mol:	-182.87
Dipole, Da:	4.72
IP(EA), eV:	-9.61(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethyl-5-ethylsulfanylcarbonyl-6-(2-methoxyethyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C2=C(C=C(C=C2)I)C(=O)OC1=O

DOS

IR

Vibrations