Geometry & MOs

Info

ID:	115262
PubChem CID:	50515894
Reduced:	BrClO3N4C23H26 (1)
Stoich.:	ABC3D4E23F26 (1)
Weight, g/mol:	602.265296
ΔH_f, kcal/mol:	-108.96
Dipole, Da:	11.52
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-carbamoylanilino)-2-oxoethyl]-1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C)Br

DOS

IR

Vibrations