Geometry & MOs

Info

ID:

214953

PubChem CID:

85083910

Reduced:

SO5N6H34C35 (1)

Stoich.:

AB5C6D34E35 (1)

Weight, g/mol:

650.267813

ΔHf, kcal/mol:

-53.91

Dipole, Da:

0.72

IP(EA), eV:

 -9.26(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[bis(4-chlorophenyl)methylcarbamoyl]-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate

Drug info:

PubChemData

Smile

CN(CC(=O)NC(CCCCN)C(=O)C(=O)NC1=CC(=CC=C1)OC2=CN=CC=C2)C(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

DOS

IR

Vibrations