Geometry & MOs

Info

ID:	368952
PubChem CID:	127330971
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	395.070655
ΔH_f, kcal/mol:	-96.83
Dipole, Da:	7.72
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCN(CC2)C(=O)NC3=NC4=C(S3)COCC4

DOS

IR

Vibrations