Geometry & MOs

Info

ID:	214384
PubChem CID:	84981802
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	392.188212
ΔH_f, kcal/mol:	19.18
Dipole, Da:	9.34
IP(EA), eV:	-8.59(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylheptyl)-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea

Drug info:

PubChemData

Smile

CCCCCC(C)CNC(=S)NNC(=O)C1=CC=C(C=C1)N2C(=CC=N2)C

DOS

IR

Vibrations