Geometry & MOs

Info

ID:	349318
PubChem CID:	127275105
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	332.209993
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	4.39
IP(EA), eV:	-9.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C(=O)NC2=C(C3=C(S2)CCC3)C#N

DOS

IR

Vibrations