Geometry & MOs

Info

ID:	244200
PubChem CID:	99319346
Reduced:	ClSF2O2N4H19C23 (1)
Stoich.:	ABC2D2E4F19G23 (1)
Weight, g/mol:	417.150012
ΔH_f, kcal/mol:	-80.39
Dipole, Da:	1.62
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations