Geometry & MOs

Info

ID:

188264

PubChem CID:

77691158

Reduced:

ClN4O4C28H41 (1)

Stoich.:

AB4C4D28E41 (1)

Weight, g/mol:

546.132442

ΔHf, kcal/mol:

-210.31

Dipole, Da:

4.11

IP(EA), eV:

 -8.95(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[7-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-5-(methoxycarbonylamino)benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CCCC(C)(C)C(=O)N(C(CC1=CC2=CC=CC=C2C=C1)C(=O)NCC(CN)O)C(=O)C3CCCN3.Cl

DOS

IR

Vibrations