Geometry & MOs

Info

ID:	227857
PubChem CID:	87562729
Reduced:	O2N5H21C23 (1)
Stoich.:	A2B5C21D23 (1)
Weight, g/mol:	602.336925
ΔH_f, kcal/mol:	95.1
Dipole, Da:	5.04
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S,5S)-3-[1-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-4-phenylbenzamide

Drug info:

PubChemData

Smile

C1CN(CC1N)C2=C(C=C(C=N2)C3=CC=C(C=C3)C#CC4=CN=CC=C4)C(=O)NO

DOS

IR

Vibrations