Geometry & MOs

Info

ID:	449508
PubChem CID:	135299160
Reduced:	NO4C15H31 (1)
Stoich.:	AB4C15D31 (1)
Weight, g/mol:	513.266128
ΔH_f, kcal/mol:	-198.77
Dipole, Da:	3.29
IP(EA), eV:	-8.88(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-[(2R)-2-(2,2-dimethylpropanoylamino)-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(3-methylthiophen-2-yl)phenyl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)CCOCCOCCOCCNC(C)C

DOS

IR

Vibrations