Geometry & MOs

Info

ID:	157491
PubChem CID:	56431943
Reduced:	S2N4O4C21H24 (1)
Stoich.:	A2B4C4D21E24 (1)
Weight, g/mol:	474.103162
ΔH_f, kcal/mol:	-77.02
Dipole, Da:	5.63
IP(EA), eV:	-9.5(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NCC2=NC(=CS2)C3=CC=NC=C3)OC

DOS

IR

Vibrations