Geometry & MOs

Info

ID:

427536

PubChem CID:

135159659

Reduced:

BrFO2N4C21H22 (1)

Stoich.:

ABC2D4E21F22 (1)

Weight, g/mol:

468.049289

ΔHf, kcal/mol:

-42.95

Dipole, Da:

4.03

IP(EA), eV:

 -8.72(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R,6S)-3-(2-chloro-4-fluorophenyl)-6-[hydroxy(methylsulfanyl)amino]-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CN(CCN2C(=N[C@H]1C3=C(C=C(C=C3)F)Br)C4=NC=CC4)C

DOS

IR

Vibrations