Geometry & MOs

Info

ID:	139240
PubChem CID:	52497482
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	423.190654
ΔH_f, kcal/mol:	24.0
Dipole, Da:	7.19
IP(EA), eV:	-8.26(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-methyl-1-[3-[[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]phenyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC(=O)C2=CNC(=S)N2C3=CC=CC=C3

DOS

IR

Vibrations