Geometry & MOs

Info

ID:	418017
PubChem CID:	135103320
Reduced:	N4O7C29H34 (1)
Stoich.:	A4B7C29D34 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-241.09
Dipole, Da:	3.71
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-5-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]benzoate

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)C(=O)CCN5CCCCC5=O

DOS

IR

Vibrations