Geometry & MOs

Info

ID:	379213
PubChem CID:	134356782
Reduced:	ClN3O5C21H30 (1)
Stoich.:	AB3C5D21E30 (1)
Weight, g/mol:	278.011264
ΔH_f, kcal/mol:	-244.89
Dipole, Da:	4.39
IP(EA), eV:	-9.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 7,7-dichlorobicyclo[4.1.0]hept-3-ene-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)CCl

DOS

IR

Vibrations