Geometry & MOs

Info

ID:	376471
PubChem CID:	134222486
Reduced:	NO5C8H17 (1)
Stoich.:	AB5C8D17 (1)
Weight, g/mol:	579.284555
ΔH_f, kcal/mol:	-240.22
Dipole, Da:	2.23
IP(EA), eV:	-9.78(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-N-[(1S,2S)-2-phenylmethoxycyclohexyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@H](N1)CC(CO)O)O)O)O

DOS

IR

Vibrations