Geometry & MOs

Info

ID:

430792

PubChem CID:

135170859

Reduced:

ON4C26H32 (1)

Stoich.:

AB4C26D32 (1)

Weight, g/mol:

435.101955

ΔHf, kcal/mol:

29.13

Dipole, Da:

2.12

IP(EA), eV:

 -8.93(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[7-[(5-chloro-2-methoxyphenyl)sulfanyl-methylamino]spiro[2,5-dihydropyrido[3,2-f][1,4]oxazepine-3,1'-cyclopropane]-4-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC=CC=C2)C(=O)C3=NC4=C(N3)C=C(C=C4)C5CC5

DOS

IR

Vibrations