Geometry & MOs

Info

ID:	435616
PubChem CID:	135191954
Reduced:	SN3O6C16H21 (1)
Stoich.:	AB3C6D16E21 (1)
Weight, g/mol:	457.149852
ΔH_f, kcal/mol:	-205.12
Dipole, Da:	5.59
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[5-methyl-7-(5-methyl-1,3,4-oxadiazol-2-yl)-4-oxo-1,5-benzoxazepin-3-ylidene]-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N/N=C\1/COC2=C(C=C(C=C2)S(=O)(=O)C)N(C1=O)C

DOS

IR

Vibrations