Geometry & MOs

Info

ID:	137743
PubChem CID:	52256188
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	337.18017
ΔH_f, kcal/mol:	-46.37
Dipole, Da:	5.67
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]-methylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC(=C(C=C3)OC)O

DOS

IR

Vibrations