Geometry & MOs

Info

ID:	131570
PubChem CID:	51230255
Reduced:	SN2F3O4H17C21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	383.16925
ΔH_f, kcal/mol:	-260.68
Dipole, Da:	3.42
IP(EA), eV:	-9.31(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3,4,5-trimethoxy-2-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCCN2C(=O)/C(=C\C3=CC=C(C=C3)OC(F)F)/SC2=O)F

DOS

IR

Vibrations