Geometry & MOs

Info

ID:

168204

PubChem CID:

74937093

Reduced:

N4O4C23H34 (1)

Stoich.:

A4B4C23D34 (1)

Weight, g/mol:

789.278995

ΔHf, kcal/mol:

-156.44

Dipole, Da:

6.41

IP(EA), eV:

 -8.16(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-N-[1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-4-(3-thiophen-2-ylquinoxalin-2-yl)oxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(C)C(=O)NC(C(C)OC)C(=O)N1CCC(C1CC2=CNC3=CC=CC=C32)O

DOS

IR

Vibrations