Geometry & MOs

Info

ID:	242819
PubChem CID:	99213177
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	392.153621
ΔH_f, kcal/mol:	-162.36
Dipole, Da:	3.76
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-benzyl-2-[[(E)-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enoyl]amino]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)/C=C/C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations