Geometry & MOs

Info

ID:	17577
PubChem CID:	505714
Reduced:	NCl2O7C27H29 (1)
Stoich.:	AB2C7D27E29 (1)
Weight, g/mol:	549.132108
ΔH_f, kcal/mol:	-276.46
Dipole, Da:	5.66
IP(EA), eV:	-9.77(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(2-cyclopentylpropan-2-yloxy)-3,4-dioxobutanoyl]-[(3,4-dichlorophenyl)methyl]amino]-2-methoxybenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C1CCCC1)OC(=O)C(=O)CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)C(=O)O)OC

DOS

IR

Vibrations