Geometry & MOs

Info

ID:	116398
PubChem CID:	50558900
Reduced:	ClO5N6C30H39 (1)
Stoich.:	AB5C6D30E39 (1)
Weight, g/mol:	518.189625
ΔH_f, kcal/mol:	-215.83
Dipole, Da:	7.49
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-(2,4-difluorophenyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations