Geometry & MOs

Info

ID:	134762
PubChem CID:	51752901
Reduced:	ClN3O5C28H32 (1)
Stoich.:	AB3C5D28E32 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-94.23
Dipole, Da:	2.54
IP(EA), eV:	-9.57(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)Cl)N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations