Geometry & MOs

Info

ID:	129197
PubChem CID:	51071912
Reduced:	FN4O5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	373.143784
ΔH_f, kcal/mol:	-134.13
Dipole, Da:	8.81
IP(EA), eV:	-9.59(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations