Geometry & MOs

Info

ID:

314424

PubChem CID:

126621787

Reduced:

SN2H30C46 (1)

Stoich.:

AB2C30D46 (1)

Weight, g/mol:

429.155121

ΔHf, kcal/mol:

206.34

Dipole, Da:

0.86

IP(EA), eV:

 -7.89(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,3-dimethyl-22-phenyl-3lambda4-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC=C(C=C4)N5C6=CC=CC=C6C7=C5C=C8C(=C7)C=CC9=C8SC1=CC=CC=C91

DOS

IR

Vibrations