Geometry & MOs

Info

ID:	379709
PubChem CID:	134459989
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	444.186064
ΔH_f, kcal/mol:	-28.48
Dipole, Da:	2.46
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-tert-butyl-15-(2,2-difluoroethoxy)-4-oxo-7,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,5,11(16),12,14-hexaene-5-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC12CC3=C(C2)C(=CC=C3)C(=O)NO)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations