Geometry & MOs

Info

ID:	319600
PubChem CID:	126656770
Reduced:	NC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	514.213758
ΔH_f, kcal/mol:	-47.07
Dipole, Da:	1.46
IP(EA), eV:	-8.63(3.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[1-[3-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C1CCC2(CCCC2)CC1)NC

DOS

IR

Vibrations