Geometry & MOs

Info

ID:	190228
PubChem CID:	77972900
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	532.078037
ΔH_f, kcal/mol:	-95.63
Dipole, Da:	9.92
IP(EA), eV:	-9.37(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[[1-[(2,4-dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-2-oxo-1,4-diazepan-5-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CNCC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C=CC(=O)O

DOS

IR

Vibrations