Geometry & MOs

Info

ID:	135800
PubChem CID:	51938004
Reduced:	FSN2O2C20H25 (1)
Stoich.:	ABC2D2E20F25 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-128.79
Dipole, Da:	1.51
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(furan-2-yl)propan-2-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations