Geometry & MOs

Info

ID:	214522
PubChem CID:	85083150
Reduced:	S3C34H40 (1)
Stoich.:	A3B34C40 (1)
Weight, g/mol:	543.170992
ΔH_f, kcal/mol:	73.31
Dipole, Da:	2.04
IP(EA), eV:	-8.43(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2,4-dichloro-5-[3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCC(SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3)C)C)C

DOS

IR

Vibrations