Geometry & MOs

Info

ID:

417119

PubChem CID:

135091399

Reduced:

ClON4C20H25 (1)

Stoich.:

ABC4D20E25 (1)

Weight, g/mol:

663.196745

ΔHf, kcal/mol:

0.87

Dipole, Da:

1.17

IP(EA), eV:

 -8.53(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-4-[[(17S)-21-methyl-17-(2-methylsulfanylethyl)-16,19-dioxo-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaen-11-yl]sulfonyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=C(C(=CC=C4)O)Cl

DOS

IR

Vibrations