Geometry & MOs

Info

ID:

441126

PubChem CID:

135233228

Reduced:

NSF3O7C25H30 (1)

Stoich.:

ABC3D7E25F30 (1)

Weight, g/mol:

599.191102

ΔHf, kcal/mol:

-437.47

Dipole, Da:

6.17

IP(EA), eV:

 -8.98(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,4Z,6Z)-8-chloro-1-[(3,3-difluorocyclobutyl)amino]-3-methyl-1-oxoocta-4,6-dien-2-yl]-1-(4-cyanopyridin-2-yl)-N-(2-fluorophenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCCC1=CC=C(S1)OCC(F)(F)F)C(=O)C2=C(C=C(OC2=O)CCC/C=C/NC(=O)OC)O

DOS

IR

Vibrations