Geometry & MOs

Info

ID:	147556
PubChem CID:	53787212
Reduced:	SN8O11C40H65 (1)
Stoich.:	AB8C11D40E65 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-336.31
Dipole, Da:	10.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.844842
Charge, e:	0

Chem-info

IUPAC name:

2-(2-formyl-4-hydroxyphenyl)-2-hydroxyacetamide

Drug info:

PubChemData

Smile

C=[N+](CCCCCC(=O)NC1=CC=C(C=C1)CC2CN(CCN(CCN(CCN2CC(=O)O)CCOO)CCOO)CC(=O)O)C(=O)CCCCC3C4C(CS3)NC(=O)N4

DOS

IR

Vibrations