Geometry & MOs

Info

ID:

378777

PubChem CID:

134224875

Reduced:

NS2H21C38 (1)

Stoich.:

AB2C21D38 (1)

Weight, g/mol:

490.15037

ΔHf, kcal/mol:

163.69

Dipole, Da:

1.57

IP(EA), eV:

 -8.28(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diphenyl-16-thia-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaen-20-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(S3)C=CC(=C4)C5=CC6=C(C=C5)NC7=CC8=C(C=C76)C9=CC1=CC=CC=C1C=C9S8

DOS

IR

Vibrations