Geometry & MOs

Info

ID:	33230
PubChem CID:	7885533
Reduced:	BrSO2N3H14C16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	387.089384
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	5.25
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)Br)C

DOS

IR

Vibrations