Geometry & MOs

Info

ID:	126536
PubChem CID:	50967402
Reduced:	F2N2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	376.127051
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	6.08
IP(EA), eV:	-8.59(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3S,3aS,6aR)-3-(hydroxymethyl)-1-(3-methoxycarbonylphenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C2=C(N=CN2C)C3=CC=CC=C3)F

DOS

IR

Vibrations