Geometry & MOs

Info

ID:	91373
PubChem CID:	49975456
Reduced:	N5O7C30H39 (1)
Stoich.:	A5B7C30D39 (1)
Weight, g/mol:	565.290034
ΔH_f, kcal/mol:	-256.35
Dipole, Da:	8.07
IP(EA), eV:	-8.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations