Geometry & MOs

Info

ID:	398585
PubChem CID:	135034038
Reduced:	OS2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	405.172228
ΔH_f, kcal/mol:	-27.26
Dipole, Da:	1.54
IP(EA), eV:	-8.03(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[6-(4-methylphenyl)sulfonyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(CC24CCCCC4)SCCS3

DOS

IR

Vibrations