Geometry & MOs

Info

ID:

191484

PubChem CID:

78151446

Reduced:

N3S5O7C32H33 (1)

Stoich.:

A3B5C7D32E33 (1)

Weight, g/mol:

871.371177

ΔHf, kcal/mol:

-152.23

Dipole, Da:

23.5

IP(EA), eV:

 -8.67(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[7-[5-ethoxy-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-N-(4-hydroxyphenyl)-N-(1-methylindol-5-yl)-5,6,7,8-tetrahydroindolizine-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CCN1C(=CC2=[N+](C=C(S2)C3=CC=CC=C3)CCCS(=O)(=O)[O-])SC(=CC=C4N(C(=CS4)C5=CC=CC=C5)CCCS(=O)(=O)O)C1=O

DOS

IR

Vibrations