Geometry & MOs

Info

ID:	230263
PubChem CID:	87570541
Reduced:	NSO6C29H33 (1)
Stoich.:	ABC6D29E33 (1)
Weight, g/mol:	523.202859
ΔH_f, kcal/mol:	-170.58
Dipole, Da:	1.48
IP(EA), eV:	-8.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-[4-[2-hydroxy-3-[(2-methoxy-2-phenoxyethyl)amino]propoxy]phenyl]-3-(4-methylsulfanylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(NCC(COC1=CC=C(C=C1)/C(=C/C2=CC=C(C=C2)SC)/C(=O)OC)O)OC3=CC=CC=C3OC

DOS

IR

Vibrations