Geometry & MOs

Info

ID:	135307
PubChem CID:	51849718
Reduced:	N3O6C26H27 (1)
Stoich.:	A3B6C26D27 (1)
Weight, g/mol:	464.231122
ΔH_f, kcal/mol:	-113.99
Dipole, Da:	7.37
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(furan-2-yl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2,3-dihydroxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)OC)N(C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

DOS

IR

Vibrations