Geometry & MOs

Info

ID:

227664

PubChem CID:

87562183

Reduced:

Cl2O2S2N6H8C13 (1)

Stoich.:

A2B2C2D6E8F13 (1)

Weight, g/mol:

1200.573438

ΔHf, kcal/mol:

51.79

Dipole, Da:

1.3

IP(EA), eV:

 -9.3(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[[(3S,5S)-1-(2,2-diphenylethyl)-3-(2-morpholin-4-ylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide;6-chloro-N-[[(3S,5S)-3-(2-morpholin-4-ylethyl)-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=NC2=C1N=C(S2)NC(=O)ON3C(SC4=C3C=CC(=N4)Cl)N)Cl

DOS

IR

Vibrations