Geometry & MOs

Info

ID:

164371

PubChem CID:

74391236

Reduced:

ON6C20H24 (1)

Stoich.:

AB6C20D24 (1)

Weight, g/mol:

793.292754

ΔHf, kcal/mol:

61.21

Dipole, Da:

2.6

IP(EA), eV:

 -8.87(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[cyclohexyl-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(3-thiophen-2-ylquinoxalin-2-yl)oxypyrrolidine-1-carbonyl]amino]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1(CC1)C2=NC=C(C=C2)CN3CC4CC3CN4C5=NC=CC=N5

DOS

IR

Vibrations