Geometry & MOs

Info

ID:	367470
PubChem CID:	127324773
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	-163.62
Dipole, Da:	5.33
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(7,8,9,10-tetrahydro-6H-azepino[1,2-a]benzimidazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1CC1CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations