Geometry & MOs

Info

ID:

181177

PubChem CID:

76715690

Reduced:

SN4O6C37H42 (1)

Stoich.:

AB4C6D37E42 (1)

Weight, g/mol:

803.360422

ΔHf, kcal/mol:

-133.98

Dipole, Da:

1.14

IP(EA), eV:

 -9.28(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[1-(2-benzylnon-8-enoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-2-yl]-2-oxoethyl]-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=CC=C4)OC5=NC6=CC=CC=C6N=C5)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations