Geometry & MOs

Info

ID:	150266
PubChem CID:	53789954
Reduced:	SN3O3C10H13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	393.194008
ΔH_f, kcal/mol:	-84.86
Dipole, Da:	8.61
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-ethyl 5-O-propan-2-yl 2,6-dimethyl-4-naphthalen-1-yl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=C(N3CCSC3=NC2=O)O

DOS

IR

Vibrations