Geometry & MOs

Info

ID:	314717
PubChem CID:	126622814
Reduced:	Cl3N3O7C27H30 (1)
Stoich.:	A3B3C7D27E30 (1)
Weight, g/mol:	557.052333
ΔH_f, kcal/mol:	-256.25
Dipole, Da:	10.61
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-[[6-(2-methoxyethoxy)pyridin-3-yl]-(2,2,2-trichloroethoxycarbonyl)amino]indol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)N(C3=CN=C(C=C3)OCCOC)C(=O)OCC(Cl)(Cl)Cl)C(C(=O)O)C(C)(C)C

DOS

IR

Vibrations