Geometry & MOs

Info

ID:

307644

PubChem CID:

125307894

Reduced:

PSN2O9C18H35 (1)

Stoich.:

ABC2D9E18F35 (1)

Weight, g/mol:

340.153541

ΔHf, kcal/mol:

-496.67

Dipole, Da:

3.85

IP(EA), eV:

 -8.87(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-6-amino-4-(3-methoxy-4-propan-2-yloxyphenyl)-3-methyl-3,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

CCC[C@@H]1C[C@@H](N(C1)C)C(=O)N[C@@H]([C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)[C@H](C)O

DOS

IR

Vibrations