Geometry & MOs

Info

ID:	187470
PubChem CID:	77575946
Reduced:	ClFO2N3C30H37 (1)
Stoich.:	ABC2D3E30F37 (1)
Weight, g/mol:	456.133063
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	6.11
IP(EA), eV:	-8.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[furan-2-ylmethyl-(2-phenylacetyl)amino]-5-(3,3,3-trifluoro-2-oxopropyl)sulfanylpentanamide

Drug info:

PubChemData

Smile

CCN(CC)CCN1CCN2C3=C(C=CC(=C3)C(=O)O)C(=C2C4=C(C1)C=C(C=C4)Cl)C5CCCCC5F

DOS

IR

Vibrations