Geometry & MOs

Info

ID:	106619
PubChem CID:	50170985
Reduced:	SO4N6C29H40 (1)
Stoich.:	AB4C6D29E40 (1)
Weight, g/mol:	532.164411
ΔH_f, kcal/mol:	-146.31
Dipole, Da:	11.68
IP(EA), eV:	-8.96(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4)C

DOS

IR

Vibrations