Geometry & MOs

Info

ID:	134726
PubChem CID:	51746269
Reduced:	NO2C9H13 (3)
Stoich.:	AB2C9D13 (3)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-178.72
Dipole, Da:	8.45
IP(EA), eV:	-9.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3-phenylprop-2-ynamide

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(CC1=CC=CO1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O

DOS

IR

Vibrations