Geometry & MOs

Info

ID:	134718
PubChem CID:	51744487
Reduced:	N2O4C13H13 (2)
Stoich.:	A2B4C13D13 (2)
Weight, g/mol:	436.199822
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	1.87
IP(EA), eV:	-9.32(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC=C(C=C2)O)N(CC3=CC=CO3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations