Geometry & MOs

Info

ID:	307265
PubChem CID:	125299304
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	442.048712
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	3.22
IP(EA), eV:	-8.41(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6S,7S,8R,12S)-5-(2,4-dichlorophenyl)-10-(4-methylphenyl)-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione

Drug info:

PubChemData

Smile

CCOC1=CC(=O)C(=CNNC(=O)C2=NN=C(C2)C)C=C1

DOS

IR

Vibrations