Geometry & MOs

Info

ID:

375570

PubChem CID:

134213974

Reduced:

PN3O4C35H42 (1)

Stoich.:

AB3C4D35E42 (1)

Weight, g/mol:

360.129634

ΔHf, kcal/mol:

-136.04

Dipole, Da:

7.76

IP(EA), eV:

 -7.93(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-ethyl-8,8-dimethyl-14lambda4-thia-1,3-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene 14-oxide

Drug info:

PubChemData

Smile

CCP1(=O)C2=CC=CC=C2C(C3=C1C(=C(O3)C(C)CC4=C5C(=CC=C4)N(C6=C(C5=O)OC(=C6N)C(C)C)C(C)C)N)(C)C

DOS

IR

Vibrations