Geometry & MOs

Info

ID:	155342
PubChem CID:	56352931
Reduced:	ClO2S2N5C20H22 (1)
Stoich.:	AB2C2D5E20F22 (1)
Weight, g/mol:	419.172417
ΔH_f, kcal/mol:	-13.25
Dipole, Da:	9.97
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanoyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(S1)C=C(S2)C(=O)N3CCCN(CC3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations