Geometry & MOs

Info

ID:	186560
PubChem CID:	77445356
Reduced:	SN3O3C8H13 (1)
Stoich.:	AB3C3D8E13 (1)
Weight, g/mol:	330.131468
ΔH_f, kcal/mol:	-114.86
Dipole, Da:	2.35
IP(EA), eV:	-9.24(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trihydroxypentan-2-yloxymethyl 3-(3,4-dihydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C(OC(S1)CO)N2C=CC(NC2=O)N

DOS

IR

Vibrations