Geometry & MOs

Info

ID:	324414
PubChem CID:	126677628
Reduced:	F3N4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-120.93
Dipole, Da:	5.72
IP(EA), eV:	-8.95(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(E)-3-hydroxy-7-sulfanylhept-4-enoyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CC=NN2)(C(F)(F)F)N

DOS

IR

Vibrations