Geometry & MOs

Info

ID:	227818
PubChem CID:	87562578
Reduced:	BrNO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	518.074963
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	4.58
IP(EA), eV:	-9.34(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-methyl-[2-(methylamino)ethyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=NC(=C1)CC2=CC=CC=C2)Br)O

DOS

IR

Vibrations