Geometry & MOs

Info

ID:	150517
PubChem CID:	53790210
Reduced:	ClNSO2F6H12C20 (1)
Stoich.:	ABCD2E6F12G20 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-329.0
Dipole, Da:	8.31
IP(EA), eV:	-9.4(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6-methyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)C(F)(F)F)Cl)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations