Geometry & MOs

Info

ID:	134889
PubChem CID:	51775533
Reduced:	N2F3O4C25H31 (1)
Stoich.:	A2B3C4D25E31 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-326.69
Dipole, Da:	3.71
IP(EA), eV:	-9.15(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z,2R)-1-(cyclohexylamino)-1-oxopent-3-en-2-yl]-2,3-dihydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)C(F)(F)F)N(C)C(=O)C2=C(C(=CC=C2)O)O

DOS

IR

Vibrations