Geometry & MOs

Info

ID:	69184
PubChem CID:	46530366
Reduced:	BrFSN2O3H18C20 (1)
Stoich.:	ABCD2E3F18G20 (1)
Weight, g/mol:	423.168188
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	4.41
IP(EA), eV:	-8.95(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCCNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br)F

DOS

IR

Vibrations