Geometry & MOs

Info

ID:	38530
PubChem CID:	8137004
Reduced:	O2S2N3C17H19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	254.086684
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	4.93
IP(EA), eV:	-8.46(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=S)N2CC(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations