Geometry & MOs

Info

ID:	42483
PubChem CID:	8149608
Reduced:	SN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	-18.39
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.219992
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(methylcarbamoyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide

Drug info:

PubChemData

Smile

CCC[NH2+]CC1=CSC(=N1)C2=CC(=C(C=C2)OCC)OC

DOS

IR

Vibrations