Geometry & MOs

Info

ID:	362780
PubChem CID:	127309328
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-37.57
Dipole, Da:	3.57
IP(EA), eV:	-8.73(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)NC3CCSCC3

DOS

IR

Vibrations