Geometry & MOs

Info

ID:	292049
PubChem CID:	114152047
Reduced:	SN2O2C13H28 (1)
Stoich.:	AB2C2D13E28 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-137.53
Dipole, Da:	2.32
IP(EA), eV:	-8.73(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclobutylethyl 3-amino-5-chlorobenzoate

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)NC(C)C(CO)SC)CN

DOS

IR

Vibrations