Geometry & MOs

Info

ID:	315802
PubChem CID:	126628826
Reduced:	N5O7C34H47 (1)
Stoich.:	A5B7C34D47 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-287.66
Dipole, Da:	4.33
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-1-[2-(3-carbamoylindazol-1-yl)ethyl]-5-oxopyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C=CC(=C2)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N3CCC[C@@](N3)(C)C(=O)OC)C=C1)OC(=O)C

DOS

IR

Vibrations