Geometry & MOs

Info

ID:	58165
PubChem CID:	24424491
Reduced:	SN3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	440.191583
ΔH_f, kcal/mol:	-2.53
Dipole, Da:	6.74
IP(EA), eV:	-8.32(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-2-piperidin-1-ylpropyl)-3-(4-morpholin-4-ylsulfonylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NCC(C)(C)N2CCCCC2

DOS

IR

Vibrations