Geometry & MOs

Info

ID:	43689
PubChem CID:	10321651
Reduced:	BrN2O7H17C18 (1)
Stoich.:	AB2C7D17E18 (1)
Weight, g/mol:	452.079344
ΔH_f, kcal/mol:	-241.29
Dipole, Da:	5.32
IP(EA), eV:	-9.53(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,2S,3R,4S)-3,4-bis(2-chloro-6-methoxyphenyl)cyclobutane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H](O[C@H]2N3C=C(C(=O)NC3=O)/C=C/Br)CO)O

DOS

IR

Vibrations