Geometry & MOs

Info

ID:	448574
PubChem CID:	135291998
Reduced:	ClOPSN2H8C9 (1)
Stoich.:	ABCDE2F8G9 (1)
Weight, g/mol:	347.064839
ΔH_f, kcal/mol:	1.5
Dipole, Da:	1.53
IP(EA), eV:	-9.03(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(Z)-3-amino-4,4,4-trifluorobut-2-enoyl]-1-(4-chlorophenyl)azetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CP1(=O)NC2=NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations