Geometry & MOs

Info

ID:	65368
PubChem CID:	29214802
Reduced:	ClSO2N4C19H27 (1)
Stoich.:	ABC2D4E19F27 (1)
Weight, g/mol:	410.154325
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	2.79
IP(EA), eV:	-8.62(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@@H]1CCCN(C1)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations