Geometry & MOs

Info

ID:	271619
PubChem CID:	103685922
Reduced:	ClNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-7.11
Dipole, Da:	4.41
IP(EA), eV:	-8.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-phenylurea

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCSCC#C)Cl)OC

DOS

IR

Vibrations