Geometry & MOs

Info

ID:	168641
PubChem CID:	74997924
Reduced:	FSN2O2C15H19 (1)
Stoich.:	ABC2D2E15F19 (1)
Weight, g/mol:	421.203528
ΔH_f, kcal/mol:	-116.27
Dipole, Da:	3.98
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzylamino)-3-[4-(hydroxyamino)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCC1C(=S)NC2=C(N1C(=O)OC(C)CC)C=C(C=C2)F

DOS

IR

Vibrations