Geometry & MOs

Info

ID:	27467
PubChem CID:	821500
Reduced:	SN3O4H11C15 (1)
Stoich.:	AB3C4D11E15 (1)
Weight, g/mol:	265.095892
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	4.29
IP(EA), eV:	-9.12(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-methylsulfanyl-2-(5-methylthiophen-2-yl)cyclobut-2-en-1-imine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)/C=C\3/C(=O)NC(=S)N3

DOS

IR

Vibrations