Geometry & MOs

Info

ID:	133115
PubChem CID:	51479097
Reduced:	F2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-36.2
Dipole, Da:	5.3
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)N)[C@H](C)SC3=CC(=C(C=C3)F)F)C

DOS

IR

Vibrations