Geometry & MOs

Info

ID:	46555
PubChem CID:	10525168
Reduced:	NO3C10H19 (2)
Stoich.:	AB3C10D19 (2)
Weight, g/mol:	402.095952
ΔH_f, kcal/mol:	-357.56
Dipole, Da:	2.59
IP(EA), eV:	-9.54(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)-2-(3,3-dimethylbut-1-ynyl)cyclopropyl]sulfonylbenzene

Drug info:

PubChemData

Smile

CC(C)[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations