Geometry & MOs

Info

ID:	188265
PubChem CID:	77691500
Reduced:	Cl2N2O6C27H28 (1)
Stoich.:	A2B2C6D27E28 (1)
Weight, g/mol:	510.155764
ΔH_f, kcal/mol:	-240.98
Dipole, Da:	2.88
IP(EA), eV:	-9.43(-0.99)
Spin(S_z, 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

Drug info:

PubChemData

Smile

COC(=O)NC1=CC(=CC(=C1)C(=O)O)OC2=CC3=C(CCC(C3)NCC(C4=CC=C(C=C4)Cl)O)C=C2.Cl

DOS

IR

Vibrations