Geometry & MOs

Info

ID:	131282
PubChem CID:	51186102
Reduced:	SN2O5H16C17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-2-hydroxyphenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)NC3=NC(=CS3)CC(=O)OC

DOS

IR

Vibrations