Geometry & MOs

Info

ID:	312049
PubChem CID:	126602152
Reduced:	NO3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	460.214427
ΔH_f, kcal/mol:	-246.49
Dipole, Da:	3.85
IP(EA), eV:	-9.19(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[2-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CN=C(C=C1)OC2CC(C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations