Geometry & MOs

Info

ID:	407101
PubChem CID:	135079338
Reduced:	NSO2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	333.113171
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	5.56
IP(EA), eV:	-9.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(2-chloro-4-methoxyanilino)benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCCC2CC=C

DOS

IR

Vibrations