Geometry & MOs

Info

ID:	152974
PubChem CID:	56312078
Reduced:	SF2N3O3C22H25 (1)
Stoich.:	AB2C3D3E22F25 (1)
Weight, g/mol:	450.226705
ΔH_f, kcal/mol:	-185.17
Dipole, Da:	3.56
IP(EA), eV:	-8.58(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=CC=C2SC(F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations