Geometry & MOs

Info

ID:	443425
PubChem CID:	135258970
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	423.144178
ΔH_f, kcal/mol:	-29.42
Dipole, Da:	2.47
IP(EA), eV:	-8.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[(3-fluorophenyl)-hydroxymethoxy]methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hydroxyimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(NC3(N2C(=O)C(=C1)NC4=NC=NC5=C4C=CN5)CCCCC3)O

DOS

IR

Vibrations