Geometry & MOs

Info

ID:	65367
PubChem CID:	29214801
Reduced:	SO2N10C15H24 (1)
Stoich.:	AB2C10D15E24 (1)
Weight, g/mol:	410.154325
ΔH_f, kcal/mol:	44.28
Dipole, Da:	6.2
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-[[(3R)-1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-1-methylthiourea

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NNC(=O)C

DOS

IR

Vibrations