Geometry & MOs

Info

ID:	351972
PubChem CID:	127282890
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-86.53
Dipole, Da:	4.77
IP(EA), eV:	-9.03(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-[(2,4-dimethylphenyl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations