Geometry & MOs

Info

ID:

377716

PubChem CID:

134223780

Reduced:

SN2H30C45 (1)

Stoich.:

AB2C30D45 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

173.21

Dipole, Da:

2.56

IP(EA), eV:

 -8.01(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-phenyl-17-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-18-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4)C=CC(=C5)C6=CC7=C(C=C6)N(C8=C7C=C9C1=CC=CC=C1SC9=C8)C1=CC=CC=C1)C

DOS

IR

Vibrations