Geometry & MOs

Info

ID:	83864
PubChem CID:	49862017
Reduced:	OF3N5H10C16 (1)
Stoich.:	AB3C5D10E16 (1)
Weight, g/mol:	406.22162
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	7.6
IP(EA), eV:	-9.35(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(cyclopropylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-2-[(2-methoxyphenyl)carbamoylamino]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)C2=NC(=C3C(=C2)NC=N3)C#N)C(F)(F)F

DOS

IR

Vibrations