Geometry & MOs

Info

ID:	156380
PubChem CID:	56370351
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	447.148032
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	2.94
IP(EA), eV:	-8.63(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[2-oxo-2-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N2CCC(C2)NC(=O)CCC3=NC(=NO3)C4=CSC=C4

DOS

IR

Vibrations