Geometry & MOs

Info

ID:	91294
PubChem CID:	49974898
Reduced:	N5O6C31H39 (1)
Stoich.:	A5B6C31D39 (1)
Weight, g/mol:	583.279469
ΔH_f, kcal/mol:	-209.58
Dipole, Da:	2.81
IP(EA), eV:	-9.13(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations