Geometry & MOs

Info

ID:	43795
PubChem CID:	10321803
Reduced:	NSO2C28H41 (1)
Stoich.:	ABC2D28E41 (1)
Weight, g/mol:	455.325098
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	7.45
IP(EA), eV:	-8.8(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R,5R)-2,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-methylpent-4-en-1-one

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)CC(C)C(=O)C(C)(C)C)C)C2=CC(=C(S2)C(=O)N(C)C)C

DOS

IR

Vibrations