Geometry & MOs

Info

ID:	194081
PubChem CID:	78479062
Reduced:	NSO2F3C10H11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	409.05249
ΔH_f, kcal/mol:	-189.92
Dipole, Da:	3.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754099
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(5-bromo-2-methoxyphenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

C1COC([NH2+]1)(CC(=O)C2=CC=CS2)C(F)(F)F

DOS

IR

Vibrations