Geometry & MOs

Info

ID:	191383
PubChem CID:	78141514
Reduced:	SN3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	357.080157
ΔH_f, kcal/mol:	69.08
Dipole, Da:	5.46
IP(EA), eV:	-8.38(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=C2CNCC3=C2NC(=S)NC3C4=CC=C(C=C4)C

DOS

IR

Vibrations