Geometry & MOs

Info

ID:	398705
PubChem CID:	135034939
Reduced:	O2C27H30 (1)
Stoich.:	A2B27C30 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	14.32
Dipole, Da:	5.1
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfanyl)azetidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/2\CO[C@]3(C=CC(=O)C[C@H]3C4=C2C=CC(=C4)C(C)(C)C)C

DOS

IR

Vibrations