Geometry & MOs

Info

ID:	327108
PubChem CID:	126689014
Reduced:	NSO10C23H35 (1)
Stoich.:	ABC10D23E35 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-449.98
Dipole, Da:	3.86
IP(EA), eV:	-9.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 1,3,4,5-tetrahydrodiazepine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)([C@H](C(=O)O)N(C(=O)OC)OC(=O)C1CCCCC1)SC(=O)OCOC(=O)C2CCCCC2

DOS

IR

Vibrations