Geometry & MOs

Info

ID:	312034
PubChem CID:	126602126
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	504.204256
ΔH_f, kcal/mol:	39.05
Dipole, Da:	3.63
IP(EA), eV:	-9.4(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=CC(=CC=C1)C#CCCN=[N+]=[N-]

DOS

IR

Vibrations