Geometry & MOs

Info

ID:

194708

PubChem CID:

78579637

Reduced:

FN2S2O7H27C30 (1)

Stoich.:

AB2C2D7E27F30 (1)

Weight, g/mol:

707.156006

ΔHf, kcal/mol:

-256.03

Dipole, Da:

0.53

IP(EA), eV:

 -8.65(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(9S)-14-(4-fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-9-yl]-2-methoxyphenoxy]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=C(C=C(C=C1)[C@@H]2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C7=CC=C(C=C7)F)OC

DOS

IR

Vibrations