Geometry & MOs

Info

ID:	140701
PubChem CID:	52742022
Reduced:	ClN2O5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	391.229348
ΔH_f, kcal/mol:	-172.33
Dipole, Da:	7.85
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-methyl-2-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide

Drug info:

PubChemData

Smile

CC[C@]1(CCC(=O)NC1=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)Cl)OCC)OC

DOS

IR

Vibrations