Geometry & MOs

Info

ID:	81951
PubChem CID:	49855394
Reduced:	SN5O5C25H27 (1)
Stoich.:	AB5C5D25E27 (1)
Weight, g/mol:	439.131425
ΔH_f, kcal/mol:	-67.52
Dipole, Da:	3.39
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-[(1R,5S)-6-[methyl(naphthalen-2-ylsulfonyl)amino]-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)ONC(=O)C2=CN=C(N=C2)N3C[C@@H]4[C@H](C3)C4NS(=O)(=O)C5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations