Geometry & MOs

Info

ID:	147405
PubChem CID:	53787061
Reduced:	SO3N4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	562.580115
ΔH_f, kcal/mol:	-45.2
Dipole, Da:	4.14
IP(EA), eV:	-9.03(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexatriacont-27-en-18-ylurea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC=C2C3=C(C=CN=C3)NC2=O)S(=O)(=O)N

DOS

IR

Vibrations