Geometry & MOs

Info

ID:	44522
PubChem CID:	10503893
Reduced:	SN4O7C19H26 (1)
Stoich.:	AB4C7D19E26 (1)
Weight, g/mol:	454.153798
ΔH_f, kcal/mol:	-240.55
Dipole, Da:	6.48
IP(EA), eV:	-9.28(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-4-[1,1-dioxo-6-(trifluoromethyl)-4H-1lambda6,2,4-benzothiadiazin-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](C[C@@H]2C(=O)NO)N3C(=O)CN(C3=O)C

DOS

IR

Vibrations