Geometry & MOs

Info

ID:	296419
PubChem CID:	117573657
Reduced:	NSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	255.102607
ΔH_f, kcal/mol:	-195.77
Dipole, Da:	5.21
IP(EA), eV:	-9.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chloroanilino)methyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(CNC1CCS(=O)(=O)C1)C(=O)OC

DOS

IR

Vibrations