Geometry & MOs

Info

ID:	106856
PubChem CID:	50179109
Reduced:	O3N4C31H42 (1)
Stoich.:	A3B4C31D42 (1)
Weight, g/mol:	571.260626
ΔH_f, kcal/mol:	-128.4
Dipole, Da:	7.98
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,4-difluoroanilino)-3-oxopropyl]-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)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(C)C)C

DOS

IR

Vibrations