Geometry & MOs

Info

ID:	196510
PubChem CID:	78839669
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	364.089306
ΔH_f, kcal/mol:	-71.18
Dipole, Da:	8.07
IP(EA), eV:	-9.58(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]-3-thiophen-2-ylpropanoate

Drug info:

PubChemData

Smile

CC1=NC(=NN1C2=CC=C(C=C2)Cl)C(=O)N3C4CCCCC4CC3C(=O)OC

DOS

IR

Vibrations