Geometry & MOs

Info

ID:	49215
PubChem CID:	11531938
Reduced:	PN2O6C20H29 (1)
Stoich.:	AB2C6D20E29 (1)
Weight, g/mol:	424.250812
ΔH_f, kcal/mol:	-273.95
Dipole, Da:	3.64
IP(EA), eV:	-8.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-dodecyl-3-[(E)-N'-(4-methylphenyl)sulfonylcarbamimidoyl]urea

Drug info:

PubChemData

Smile

CC(=C(C1=NN(C2=C1C=CC(=C2)OC)CC(=O)C(C)(C)C)OP(=O)(OC)OC)C

DOS

IR

Vibrations