Geometry & MOs

Info

ID:	276496
PubChem CID:	103823833
Reduced:	BrSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	367.05315
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	1.05
IP(EA), eV:	-8.37(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(3-bromofuran-2-yl)methylamino]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=NC=C(C=C1)NCC2=CC=C(S2)Br

DOS

IR

Vibrations