Geometry & MOs

Info

ID:	299734
PubChem CID:	117688955
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	4.18
IP(EA), eV:	-9.39(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,3,4,5-tetrahydro-1-benzoxepine

Drug info:

PubChemData

Smile

CC(C)[C@H]1C2=C(CN1)SC(=N2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations