Geometry & MOs

Info

ID:

225814

PubChem CID:

87226403

Reduced:

BrNH16C19 (1)

Stoich.:

ABC16D19 (1)

Weight, g/mol:

1072.458861

ΔHf, kcal/mol:

84.12

Dipole, Da:

6.11

IP(EA), eV:

 -7.39(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[[[3-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzoyl]-methylamino]methyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C3C2=CC=C4C3=CN(C=C4)CCCBr

DOS

IR

Vibrations