Geometry & MOs

Info

ID:	135621
PubChem CID:	51903979
Reduced:	BrSO2N3H16C19 (1)
Stoich.:	ABC2D3E16F19 (1)
Weight, g/mol:	449.158685
ΔH_f, kcal/mol:	21.45
Dipole, Da:	2.09
IP(EA), eV:	-8.63(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (3S)-3-benzamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(O3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations