Geometry & MOs

Info

ID:	214216
PubChem CID:	84974655
Reduced:	ClO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	425.213698
ΔH_f, kcal/mol:	-90.62
Dipole, Da:	5.23
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-(4-methylpiperidin-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCNC(=O)CN(C)C(C)C(=O)NC1=CC(=CC=C1)Cl

DOS

IR

Vibrations