Geometry & MOs

Info

ID:	426346
PubChem CID:	135143543
Reduced:	SN4O4C28H38 (1)
Stoich.:	AB4C4D28E38 (1)
Weight, g/mol:	290.130028
ΔH_f, kcal/mol:	-106.91
Dipole, Da:	1.98
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NZ)-N-[amino-(1-ethylsulfonylcyclobutyl)methylidene]carbamate

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(C2=NC(=C(S2)C)COCC3=CC=C(C=C3)OC)C(C)(C)C(=O)OC)C)N)N

DOS

IR

Vibrations