Geometry & MOs

Info

ID:	312997
PubChem CID:	126610669
Reduced:	SO3N6H16C19 (1)
Stoich.:	AB3C6D16E19 (1)
Weight, g/mol:	405.147075
ΔH_f, kcal/mol:	79.02
Dipole, Da:	6.7
IP(EA), eV:	-9.06(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S,4S)-4-[[6-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl] sulfamate

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)N(C=N4)C)[N+](=O)[O-]

DOS

IR

Vibrations