Geometry & MOs

Info

ID:	58122
PubChem CID:	24424230
Reduced:	SN2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	376.196669
ΔH_f, kcal/mol:	18.51
Dipole, Da:	6.33
IP(EA), eV:	-8.36(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxypropyl)-3-[4-(3-methoxypropylcarbamothioylamino)cyclohexyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=S)NC2CCC(CC2)NC(=S)NC3=CC(=CC(=C3)C)C)C

DOS

IR

Vibrations