Geometry & MOs

Info

ID:	226623
PubChem CID:	87544448
Reduced:	ON2F6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	469.130757
ΔH_f, kcal/mol:	-326.8
Dipole, Da:	6.38
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[1-(hydroxyamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]phenyl]methyl-(thiophen-2-ylmethyl)carbamic acid

Drug info:

PubChemData

Smile

C/C=C\C1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)N2CCNC[C@H]2C

DOS

IR

Vibrations