Geometry & MOs

Info

ID:	43199
PubChem CID:	10319455
Reduced:	BrNO5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	412.142307
ΔH_f, kcal/mol:	-206.67
Dipole, Da:	2.21
IP(EA), eV:	-9.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 17-benzyl-6-methyl-2-oxo-9-oxa-7,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3,5,7,11,13,15-heptaene-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1CCC2=C(N1C(=O)C(=O)OCC)C=CC(=C2)Br

DOS

IR

Vibrations