Geometry & MOs

Info

ID:

83699

PubChem CID:

49860240

Reduced:

ClNO2C22H30 (1)

Stoich.:

ABC2D22E30 (1)

Weight, g/mol:

404.14376

ΔHf, kcal/mol:

-111.37

Dipole, Da:

5.06

IP(EA), eV:

 -9.07(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[2-(diethylamino)ethyl]-4-methoxy-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-amine;hydrochloride

Drug info:

PubChemData

Smile

CC[C@H]1CC(=O)CC23C1C(CC4=C2C=C(C=C4)O)N(CC3)CC5CC5.Cl

DOS

IR

Vibrations