Geometry & MOs

Info

ID:

375560

PubChem CID:

134213942

Reduced:

NH35C38 (2)

Stoich.:

AB35C38 (2)

Weight, g/mol:

366.04967

ΔHf, kcal/mol:

178.09

Dipole, Da:

1.22

IP(EA), eV:

 -7.9(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-ethyl-8lambda4,14lambda4-dithia-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 8,14-dioxide

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C4=CC5=C(C=C4)C6=C(C5(C)C)C=C(C=C6)C(C)(C)CC)C7=CC8=C(C=C7)C9=C(C8(C)C)C=C(C=C9)N(C1=CC=C(C=C1)C1=CC=CC=C1)C1=CC=C(C=C1)C1=CC=CC=C1

DOS

IR

Vibrations