Geometry & MOs

Info

ID:	188116
PubChem CID:	77668193
Reduced:	ClFSN3O4C25H29 (1)
Stoich.:	ABCD3E4F25G29 (1)
Weight, g/mol:	479.290983
ΔH_f, kcal/mol:	-186.19
Dipole, Da:	7.11
IP(EA), eV:	-9.36(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[2-cyano-5-(3-ethoxy-3-oxopropyl)phenoxy]-2-hydroxypropyl]-dimethyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NS(=O)(=O)C2CC3C(C(C2)F)NCC(C3=O)C(=O)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations