Geometry & MOs

Info

ID:	363543
PubChem CID:	127311622
Reduced:	O2N3C19H33 (1)
Stoich.:	A2B3C19D33 (1)
Weight, g/mol:	242.145285
ΔH_f, kcal/mol:	-112.24
Dipole, Da:	5.58
IP(EA), eV:	-9.28(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,2-dimethylcyclopropyl)methyl]-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)N2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations