Geometry & MOs

Info

ID:	155344
PubChem CID:	56352933
Reduced:	ClO2N5C23H24 (1)
Stoich.:	AB2C5D23E24 (1)
Weight, g/mol:	496.083574
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	9.99
IP(EA), eV:	-8.9(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations