Geometry & MOs

Info

ID:	188486
PubChem CID:	77723691
Reduced:	N6O6C29H40 (1)
Stoich.:	A6B6C29D40 (1)
Weight, g/mol:	501.137672
ΔH_f, kcal/mol:	-218.35
Dipole, Da:	5.97
IP(EA), eV:	-8.76(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonyl-2,6-dimethylphenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(C(=O)NC2=CC=CC=C2C(CC(=O)NC3CCN(CC3)C(=N)N)OC)NCC(=O)O

DOS

IR

Vibrations