Geometry & MOs

Info

ID:

442792

PubChem CID:

135256270

Reduced:

S2N4O4C9H14 (1)

Stoich.:

A2B4C4D9E14 (1)

Weight, g/mol:

696.11504

ΔHf, kcal/mol:

-99.73

Dipole, Da:

2.04

IP(EA), eV:

 -9.41(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(10R,14S)-14-[4-(6-bromo-3-chloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-20-oxa-8,16-diazatetracyclo[13.6.1.02,7.017,21]docosa-1(22),2(7),3,5,15,17(21)-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

CS(=O)(=O)N(C1=CC=CC=C1CN=NN)S(=O)(=O)C

DOS

IR

Vibrations