Geometry & MOs

Info

ID:	196036
PubChem CID:	78769166
Reduced:	S2N3O3C16H25 (1)
Stoich.:	A2B3C3D16E25 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-100.05
Dipole, Da:	14.21
IP(EA), eV:	-8.86(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-methyl-1-(4-methyl-1,4-diazepan-1-yl)-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)CC2=CC=C(S2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations