Geometry & MOs

Info

ID:	51258
PubChem CID:	12013901
Reduced:	ClNO3C12H12 (2)
Stoich.:	ABC3D12E12 (2)
Weight, g/mol:	558.221345
ΔH_f, kcal/mol:	-247.6
Dipole, Da:	1.27
IP(EA), eV:	-9.81(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[3-[2-(2-carboxy-4,5-dimethoxyanilino)-2-oxoethyl]-2,2-dimethylcyclobutyl]acetyl]amino]-4,5-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

CC1(C(CC1CC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)CC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O)C

DOS

IR

Vibrations