Geometry & MOs

Info

ID:

391052

PubChem CID:

135002517

Reduced:

N2O7H34C35 (1)

Stoich.:

A2B7C34D35 (1)

Weight, g/mol:

283.1606

ΔHf, kcal/mol:

-208.66

Dipole, Da:

2.81

IP(EA), eV:

 -8.9(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-tert-butyl 2-methoxy-6-methyl-1-prop-2-enyl-3,4-dihydro-2H-pyridine-5-carbothioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@@H](N([C@H]3C4=C[C@@H]5[C@H](O4)OC(O5)(C)C)CC6=CC=CC=C6)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations