Geometry & MOs

Info

ID:	449926
PubChem CID:	135302583
Reduced:	SO6N7C54H61 (1)
Stoich.:	AB6C7D54E61 (1)
Weight, g/mol:	235.105587
ΔH_f, kcal/mol:	-151.53
Dipole, Da:	2.43
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=C2CNC4CCC(CC4)C(=O)NCCCCCCCCNC(=O)C5=CC6=C(C=C5)C7(C8=C(C=C(C=C8)N)OC9=C7C=CC(=C9)N)OC6=O)SC=C3

DOS

IR

Vibrations