Geometry & MOs

Info

ID:	435457
PubChem CID:	135191506
Reduced:	O3N5F6H23C24 (1)
Stoich.:	A3B5C6D23E24 (1)
Weight, g/mol:	543.105179
ΔH_f, kcal/mol:	-382.91
Dipole, Da:	12.35
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3,5-dichlorobenzoyl)amino]methyl]-N-[4-[N'-(2,2,2-trifluoroacetyl)carbamimidoyl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CNC(=O)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)C(=NC(=O)C(F)(F)F)N

DOS

IR

Vibrations