Geometry & MOs

Info

ID:	327110
PubChem CID:	126689016
Reduced:	NSO10C23H35 (1)
Stoich.:	ABC10D23E35 (1)
Weight, g/mol:	366.299476
ΔH_f, kcal/mol:	-496.4
Dipole, Da:	4.09
IP(EA), eV:	-9.95(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(azepane-2-carbonylamino)hexyl]azepane-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations