Geometry & MOs

Info

ID:	433664
PubChem CID:	135173804
Reduced:	SC10H20 (1)
Stoich.:	AB10C20 (1)
Weight, g/mol:	506.300539
ΔH_f, kcal/mol:	-43.66
Dipole, Da:	2.37
IP(EA), eV:	-8.76(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[(2S)-2-(cyclohexen-1-yl)-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1CC(C(C1C)C)S

DOS

IR

Vibrations