Geometry & MOs

Info

ID:	56356
PubChem CID:	17425164
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	439.120192
ΔH_f, kcal/mol:	2.89
Dipole, Da:	4.37
IP(EA), eV:	-7.97(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-3-phenylurea

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C3=C(SC(=N3)NCC4CCCO4)C

DOS

IR

Vibrations