Geometry & MOs

Info

ID:	422449
PubChem CID:	135117847
Reduced:	ClN5O6C33H44 (1)
Stoich.:	AB5C6D33E44 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-257.06
Dipole, Da:	8.09
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3=CC(=C(C=C3)OCC)Cl

DOS

IR

Vibrations