Geometry & MOs

Info

ID:	135255
PubChem CID:	51842138
Reduced:	ClN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	422.314458
ΔH_f, kcal/mol:	-90.54
Dipole, Da:	2.33
IP(EA), eV:	-9.29(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-ethyl-2-[(2-methoxyacetyl)-[(5-methylfuran-2-yl)methyl]amino]-N-(2,4,4-trimethylpentan-2-yl)pentanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@@H](C(=O)N2)CCC(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations