Geometry & MOs

Info

ID:	56030
PubChem CID:	17403856
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	372.094392
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	5.07
IP(EA), eV:	-8.92(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-3-oxopropyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=CS2)C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

DOS

IR

Vibrations