Geometry & MOs

Info

ID:

168261

PubChem CID:

74942160

Reduced:

SN5O8C41H43 (1)

Stoich.:

AB5C8D41E43 (1)

Weight, g/mol:

876.315263

ΔHf, kcal/mol:

-191.33

Dipole, Da:

9.1

IP(EA), eV:

 -9.06(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[2-ethenyl-1-[(4-ethynylphenyl)sulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]-1-oxo-3-(prop-2-enoylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)(=O)C3=CC=CC=C3)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CC=CC=C6)NC(=O)C=C

DOS

IR

Vibrations