Geometry & MOs

Info

ID:	155992
PubChem CID:	56368637
Reduced:	BrON4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	433.06372
ΔH_f, kcal/mol:	19.34
Dipole, Da:	3.65
IP(EA), eV:	-8.11(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC3=C(C=C2)N(C=C3)CCN(C)C)Br

DOS

IR

Vibrations