Geometry & MOs

Info

ID:	233454
PubChem CID:	90944532
Reduced:	N2P2S4O8C39H42 (1)
Stoich.:	A2B2C4D8E39F42 (1)
Weight, g/mol:	234.234751
ΔH_f, kcal/mol:	-316.41
Dipole, Da:	8.86
IP(EA), eV:	-8.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3,4,6-trimethylhept-5-en-2-yl)bicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

C[C@@](CSC)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.CSC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13.P(=S)P=S

DOS

IR

Vibrations