Geometry & MOs

Info

ID:	312281
PubChem CID:	126604093
Reduced:	N6O11C33H42 (1)
Stoich.:	A6B11C33D42 (1)
Weight, g/mol:	247.95456
ΔH_f, kcal/mol:	-393.96
Dipole, Da:	3.57
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(hydroxymethoxymethoxy)-1-iodoethanol

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)NC(=O)C2=CCN([C@H](C(=O)N2C)C(=C3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O[C@H]5[C@@H]([C@@H]([C@H](O5)C(=C)N)O)O)C

DOS

IR

Vibrations