Geometry & MOs

Info

ID:	214372
PubChem CID:	84981715
Reduced:	SO3N4C17H26 (1)
Stoich.:	AB3C4D17E26 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	6.98
IP(EA), eV:	-8.75(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations