Geometry & MOs

Info

ID:	51255
PubChem CID:	12013898
Reduced:	Cl2N2O6H22C23 (1)
Stoich.:	A2B2C6D22E23 (1)
Weight, g/mol:	544.205695
ΔH_f, kcal/mol:	-252.08
Dipole, Da:	4.95
IP(EA), eV:	-9.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(CC1C(=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