Geometry & MOs

Info

ID:	413496
PubChem CID:	135086445
Reduced:	NSO2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	402.176585
ΔH_f, kcal/mol:	9.26
Dipole, Da:	3.49
IP(EA), eV:	-8.93(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-(1-benzylsulfanylbut-3-en-2-yl)-3-phenylurea

Drug info:

PubChemData

Smile

CN(C#CC1=CC=CC=C1C=C)S(=O)(=O)C

DOS

IR

Vibrations