Geometry & MOs

Info

ID:	129148
PubChem CID:	51071494
Reduced:	N3O3F4H21C22 (1)
Stoich.:	A3B3C4D21E22 (1)
Weight, g/mol:	369.125547
ΔH_f, kcal/mol:	-295.2
Dipole, Da:	6.11
IP(EA), eV:	-9.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(3-chloropropanoyl)-N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations