Geometry & MOs

Info

ID:

194714

PubChem CID:

78580617

Reduced:

S2N3F4O5H25C34 (1)

Stoich.:

A2B3C4D5E25F34 (1)

Weight, g/mol:

757.152813

ΔHf, kcal/mol:

-305.19

Dipole, Da:

3.17

IP(EA), eV:

 -9.07(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C3[C@H](C4=C(NC(=O)S4)SC3C1C5C2C(=O)N(C5=O)C6=CC=CC=C6C(F)(F)F)C7=CC=C(C=C7)OCC(=O)NC8=CC=C(C=C8)F

DOS

IR

Vibrations