Geometry & MOs

Info

ID:

443405

PubChem CID:

135258888

Reduced:

NC7H11 (2)

Stoich.:

AB7C11 (2)

Weight, g/mol:

604.238058

ΔHf, kcal/mol:

-10.07

Dipole, Da:

2.49

IP(EA), eV:

 -9.62(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-benzyl 4-O-[[4-(4-carbamoyl-5-hydroxyimidazol-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C2=NC(=NC=C2C)C)C

DOS

IR

Vibrations