Geometry & MOs

Info

ID:	76749
PubChem CID:	48425326
Reduced:	BrO2N4C13H21 (1)
Stoich.:	AB2C4D13E21 (1)
Weight, g/mol:	369.186398
ΔH_f, kcal/mol:	-68.72
Dipole, Da:	5.98
IP(EA), eV:	-9.14(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(diethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCCN1C=C(C=N1)Br

DOS

IR

Vibrations