Geometry & MOs

Info

ID:	79641
PubChem CID:	49829821
Reduced:	FOS2N4H17C20 (1)
Stoich.:	ABC2D4E17F20 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	27.66
Dipole, Da:	1.83
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethylideneamino)-2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=C(C=C2)F)NC(=O)CC3=CSC(=N3)C4=CSC=C4

DOS

IR

Vibrations