Geometry & MOs

Info

ID:	257379
PubChem CID:	103145629
Reduced:	SN4O4C12H14 (1)
Stoich.:	AB4C4D12E14 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-49.54
Dipole, Da:	3.95
IP(EA), eV:	-9.82(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethyl-4-nitrophenyl)carbamoyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1[N+](=O)[O-])C)NS(=O)(=O)C2=CN=C(N2)C

DOS

IR

Vibrations