Geometry & MOs

Info

ID:	86445
PubChem CID:	49885588
Reduced:	S2N4O5H28C29 (1)
Stoich.:	A2B4C5D28E29 (1)
Weight, g/mol:	398.282582
ΔH_f, kcal/mol:	-76.87
Dipole, Da:	3.67
IP(EA), eV:	-8.7(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[2,4-bis(2-methylbutan-2-yl)phenoxy]-3-(diethylamino)propan-2-ol;chloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CSC3=NN=C(N3CC=C)C4C(OC5=CC=CC=C5O4)C

DOS

IR

Vibrations