Geometry & MOs

Info

ID:	180216
PubChem CID:	76600389
Reduced:	O8N12C43H60 (1)
Stoich.:	A8B12C43D60 (1)
Weight, g/mol:	302.012806
ΔH_f, kcal/mol:	-250.76
Dipole, Da:	4.73
IP(EA), eV:	-8.35(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-chloro-2-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)acetate

Drug info:

PubChemData

Smile

CNC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C2CC(CN2C1=O)O)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)N

DOS

IR

Vibrations