Geometry & MOs

Info

ID:

427521

PubChem CID:

135159528

Reduced:

NOH18C24 (2)

Stoich.:

ABC18D24 (2)

Weight, g/mol:

414.11619

ΔHf, kcal/mol:

122.89

Dipole, Da:

3.21

IP(EA), eV:

 -7.84(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 6-carbamoyl-3-(4-fluoro-2-methylphenyl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CC=CC2=C1N(C3=CC=CC(=C23)C4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)C8=CC=CN8)OC9=CC=CC=C96)C1=CC=CC=C1O5)C1CC=CC=C1

DOS

IR

Vibrations