Geometry & MOs

Info

ID:	20616
PubChem CID:	584849
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	4.92
IP(EA), eV:	-9.57(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-nitrothiophen-2-yl)methylideneamino]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NN=CC4=CC=C(S4)[N+](=O)[O-]

DOS

IR

Vibrations