Geometry & MOs

Info

ID:	209999
PubChem CID:	80749168
Reduced:	BrN4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	270.085186
ΔH_f, kcal/mol:	32.18
Dipole, Da:	6.33
IP(EA), eV:	-8.43(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(furan-3-carbonylamino)propanoylamino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)NC2=CC(=C(C=C2)Br)C)C(C)C

DOS

IR

Vibrations