Geometry & MOs

Info

ID:

308526

PubChem CID:

125333394

Reduced:

PSN4O8C41H53 (1)

Stoich.:

ABC4D8E41F53 (1)

Weight, g/mol:

350.083747

ΔHf, kcal/mol:

-287.61

Dipole, Da:

4.06

IP(EA), eV:

 -8.88(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7aS)-6-amino-4-(2-methoxyphenyl)-3-thiophen-2-yl-4,7a-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)C(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@H]2[C@H]3[C@H](CS2)NC(=O)N3)P(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations