Geometry & MOs

Info

ID:	403803
PubChem CID:	135061933
Reduced:	N2O3C14H18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	450.136176
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	6.53
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C(=O)C1=CC=C(C=C1)NC(=O)C

DOS

IR

Vibrations