Geometry & MOs

Info

ID:

132547

PubChem CID:

51377651

Reduced:

O3N4H24C25 (1)

Stoich.:

A3B4C24D25 (1)

Weight, g/mol:

502.14749

ΔHf, kcal/mol:

15.08

Dipole, Da:

2.4

IP(EA), eV:

 -9.35(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C2=NN=C3[C@H]2[C@@H](C(=C(O3)N)C#N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations