Geometry & MOs

Info

ID:	55946
PubChem CID:	17397697
Reduced:	S2N3O4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	336.058006
ΔH_f, kcal/mol:	-117.43
Dipole, Da:	1.75
IP(EA), eV:	-8.8(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C2=C(N=CC=C2)SC

DOS

IR

Vibrations