Geometry & MOs

Info

ID:	199433
PubChem CID:	79246027
Reduced:	ClN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	315.114044
ΔH_f, kcal/mol:	33.34
Dipole, Da:	1.1
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]-4-methylbenzoate

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CC3=NC=CC(=C3)Cl

DOS

IR

Vibrations