Geometry & MOs

Info

ID:	191384
PubChem CID:	78141985
Reduced:	ClNSO4C16H20 (1)
Stoich.:	ABCD4E16F20 (1)
Weight, g/mol:	391.106514
ΔH_f, kcal/mol:	-144.31
Dipole, Da:	3.14
IP(EA), eV:	-9.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-[[4-(trifluoromethyl)phenyl]sulfonylamino]hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C=CC=CCNS(=O)(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations