Geometry & MOs

Info

ID:	91282
PubChem CID:	49974828
Reduced:	N5O5C30H39 (1)
Stoich.:	A5B5C30D39 (1)
Weight, g/mol:	516.193961
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	3.72
IP(EA), eV:	-9.05(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-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)NC4=C(C=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations