Geometry & MOs

Info

ID:	51256
PubChem CID:	12013899
Reduced:	N2O10C27H32 (1)
Stoich.:	A2B10C27D32 (1)
Weight, g/mol:	595.99806
ΔH_f, kcal/mol:	-388.78
Dipole, Da:	1.49
IP(EA), eV:	-8.59(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[[2-[3-[2-(4-bromo-2-carboxyanilino)-2-oxoethyl]-2,2-dimethylcyclobutyl]acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1(C(CC1C(=O)NC2=CC(=C(C=C2C(=O)O)OC)OC)CC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC)C

DOS

IR

Vibrations