Geometry & MOs

Info

ID:	132849
PubChem CID:	51432456
Reduced:	N3O5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	384.113324
ΔH_f, kcal/mol:	-221.75
Dipole, Da:	3.15
IP(EA), eV:	-9.61(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl-[(2S)-2-hydroxypropyl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)CNC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations