Geometry & MOs

Info

ID:

82575

PubChem CID:

49856200

Reduced:

SN5O9C40H45 (1)

Stoich.:

AB5C9D40E45 (1)

Weight, g/mol:

827.373941

ΔHf, kcal/mol:

-244.73

Dipole, Da:

6.98

IP(EA), eV:

 -9.15(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10E,19S,22S)-19-tert-butyl-N-[(2R)-2-ethyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-9,9-difluoro-14,14-dimethyl-17,20-dioxo-6-phenyl-2,16-dioxa-4,18,21-triazatricyclo[19.2.1.03,8]tetracosa-3(8),4,6,10-tetraene-22-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1C(=O)N2CC(C[C@H]2C(=O)NC3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=CC=CC=C6C=C5C7=CC(=CC=C7)OCC8(CC8)OC(=O)N1

DOS

IR

Vibrations