Geometry & MOs

Info

ID:

146885

PubChem CID:

53765776

Reduced:

SO6C22H30 (1)

Stoich.:

AB6C22D30 (1)

Weight, g/mol:

608.325023

ΔHf, kcal/mol:

-239.24

Dipole, Da:

5.18

IP(EA), eV:

 -8.24(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(7S)-7-[[(2S)-2-hydroxy-2-[4-phenylmethoxy-3-(2-phenylmethoxyethyl)phenyl]ethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(=O)C2=CC3=C(C(=CC(=C3)OC)C(C)(C)C)O)CS(=O)(=O)O)C

DOS

IR

Vibrations