Geometry & MOs

Info

ID:	237666
PubChem CID:	92720527
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	320.08085
ΔH_f, kcal/mol:	-55.49
Dipole, Da:	3.24
IP(EA), eV:	-8.8(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CSC2=NC3=C(C(=O)N2CC=C)SC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations