Geometry & MOs

Info

ID:	194594
PubChem CID:	78559230
Reduced:	OS2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	311.091749
ΔH_f, kcal/mol:	27.04
Dipole, Da:	3.03
IP(EA), eV:	-9.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C4N3CCCCC4

DOS

IR

Vibrations