Geometry & MOs

Info

ID:	312043
PubChem CID:	126602143
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	435.156099
ΔH_f, kcal/mol:	-228.62
Dipole, Da:	4.41
IP(EA), eV:	-8.91(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[(4-chloro-2-hydroxyphenyl)methyl]-2-[3,3-dimethyl-2-(1,3-oxazol-5-yl)butanoyl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=C(C=C1)OC2CC(C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations