Geometry & MOs

Info

ID:	351067
PubChem CID:	127279504
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-78.99
Dipole, Da:	7.38
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]urea

Drug info:

PubChemData

Smile

CN1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)NCC3CC3

DOS

IR

Vibrations