Geometry & MOs

Info

ID:	149181
PubChem CID:	53788853
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	579.262774
ΔH_f, kcal/mol:	-132.05
Dipole, Da:	6.23
IP(EA), eV:	-9.25(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-[benzylsulfonyl-[[1-[(cyanohydrazinylidene)methyl]piperidin-4-yl]methyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C(C1S)C(=O)N2CCC[C@H]2C(=O)O)C

DOS

IR

Vibrations