Geometry & MOs

Info

ID:	218827
PubChem CID:	85090036
Reduced:	F2N3O3H27C30 (1)
Stoich.:	A2B3C3D27E30 (1)
Weight, g/mol:	515.194402
ΔH_f, kcal/mol:	-118.32
Dipole, Da:	2.87
IP(EA), eV:	-8.65(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 6-(4-methoxyphenyl)-1-oxo-3,4-diphenyl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazine-7,8-dicarboxylate

Drug info:

PubChemData

Smile

CC#CN1C2=CC=CC=C2CC(C(C1=O)NC(=O)C(C)NC(=O)CC3=CC(=CC(=C3)F)F)C4=CC=CC=C4

DOS

IR

Vibrations