Geometry & MOs

Info

ID:	345235
PubChem CID:	127268995
Reduced:	SO3N5C16H25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-103.44
Dipole, Da:	4.02
IP(EA), eV:	-8.89(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxopiperidin-3-yl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)NC3CCCNC3=O

DOS

IR

Vibrations