Geometry & MOs

Info

ID:

314442

PubChem CID:

126621825

Reduced:

SN2O2H34C58 (1)

Stoich.:

AB2C2D34E58 (1)

Weight, g/mol:

848.286135

ΔHf, kcal/mol:

202.69

Dipole, Da:

1.67

IP(EA), eV:

 -7.95(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9,9-dimethyl-7-(22-phenyl-3-oxa-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(21),17,19-undecaen-18-yl)fluoren-2-yl]-N-phenyldibenzothiophen-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=C(S5)C=C(C=C6)N(C7=CC=CC=C7)C8=CC9=C(C=C8)C1=CC=CC=C1O9)C1=C2C=C2C(=C1)C=CC1=C2OC2=CC=CC=C12

DOS

IR

Vibrations