Geometry & MOs

Info

ID:

378581

PubChem CID:

134224672

Reduced:

S2N3H25C43 (1)

Stoich.:

A2B3C25D43 (1)

Weight, g/mol:

527.145619

ΔHf, kcal/mol:

215.3

Dipole, Da:

1.41

IP(EA), eV:

 -8.04(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(3-phenylquinoxalin-2-yl)-22-thia-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4S3)N=C2N5C6=C(C7=CC=CC=C7C=C6)C8=C5C=C9C1=C(C2=CC=CC=C2C=C1)SC9=C8

DOS

IR

Vibrations