Geometry & MOs

Info

ID:	436832
PubChem CID:	135212073
Reduced:	FO3N8C21H27 (1)
Stoich.:	AB3C8D21E27 (1)
Weight, g/mol:	427.208036
ΔH_f, kcal/mol:	17.19
Dipole, Da:	6.87
IP(EA), eV:	-9.58(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-2H-furan-3-yl)-N-[(2S)-1-[4-[[6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]cyclohexyl]propan-2-yl]nitrous amide

Drug info:

PubChemData

Smile

CC1=C(COC1=O)N([C@H](C)CC2(CCC(CC2)NCC3=NN=C(C=C3)N4C=NN=N4)C=O)F

DOS

IR

Vibrations