Geometry & MOs

Info

ID:	401926
PubChem CID:	135053395
Reduced:	NOH19C21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	545.143429
ΔH_f, kcal/mol:	43.1
Dipole, Da:	2.33
IP(EA), eV:	-8.64(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2R,6S)-6-(4-nitrophenyl)-2-[(E)-2-(4-nitrophenyl)ethenyl]-3-phenyl-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=N)C2=CC=CC=C2C3=CC=C(C=C3)OC

DOS

IR

Vibrations