Geometry & MOs

Info

ID:	62076
PubChem CID:	26717453
Reduced:	ClNO2H8C9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	417.94866
ΔH_f, kcal/mol:	-123.39
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations