Geometry & MOs

Info

ID:	309706
PubChem CID:	126555531
Reduced:	ClOSN6C15H21 (1)
Stoich.:	ABCD6E15F21 (1)
Weight, g/mol:	324.198383
ΔH_f, kcal/mol:	78.78
Dipole, Da:	6.95
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethyl-3-[(Z)-[3-[(Z)-2-methylpent-1-enyl]iminooxan-4-ylidene]amino]thiourea

Drug info:

PubChemData

Smile

C1CN=C2C(=CC=NC2=C1NNC(=S)N3CCN(CC3)CCO)Cl

DOS

IR

Vibrations