Geometry & MOs

Info

ID:	244732
PubChem CID:	99381218
Reduced:	ClN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	366.145868
ΔH_f, kcal/mol:	-111.97
Dipole, Da:	8.19
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-acetamidopropanoyl]-N-(3-chlorophenyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C/C=C/C1=C(C(=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl)OC)OC

DOS

IR

Vibrations