Geometry & MOs

Info

ID:

312772

PubChem CID:

126608478

Reduced:

SH24C35 (3)

Stoich.:

AB24C35 (3)

Weight, g/mol:

307.153206

ΔHf, kcal/mol:

481.95

Dipole, Da:

1.05

IP(EA), eV:

 -8.24(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,4R,6S,6aS)-2,2-dimethyl-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C3=C(C=C(C=C3)C4=CC=CC5=C4SC6=CC=CC=C56)C7=C2C8=C(C9=C7C(C1=C9C=C(C=C1)C1=CC=CC2=C1SC1=CC=CC=C21)(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C(C1=C8C=C(C=C1)C1=CC=CC2=C1SC1=CC=CC=C21)(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C1=CC=C(C=C1)C

DOS

IR

Vibrations