Geometry & MOs

Info

ID:	125295
PubChem CID:	50918861
Reduced:	NO2C22H33 (1)
Stoich.:	AB2C22D33 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	2.86
IP(EA), eV:	-9.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4S,9R,10S)-14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl] 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)C=C2[C@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@]3([C@H]5CN[C@@H](C4)O5)C)C

DOS

IR

Vibrations