Geometry & MOs

Info

ID:	126511
PubChem CID:	50967023
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	373.163771
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	8.15
IP(EA), eV:	-9.19(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,4R)-1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)CCCC2=O)C(=O)N3C[C@@H]4CNC[C@@]4(C3)C(=O)O

DOS

IR

Vibrations