Geometry & MOs

Info

ID:	268804
PubChem CID:	103601030
Reduced:	OSN2C15H32 (1)
Stoich.:	ABC2D15E32 (1)
Weight, g/mol:	274.207885
ΔH_f, kcal/mol:	-85.98
Dipole, Da:	7.11
IP(EA), eV:	-8.2(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-yl)-3-(7-methyloctyl)thiourea

Drug info:

PubChemData

Smile

CC(C)CCN(CCC(C)C)C(=S)NCCCOC

DOS

IR

Vibrations