Geometry & MOs

Info

ID:

427555

PubChem CID:

135159856

Reduced:

BrFSN4O4C23H26 (1)

Stoich.:

ABCD4E4F23G26 (1)

Weight, g/mol:

663.95364

ΔHf, kcal/mol:

-130.68

Dipole, Da:

0.44

IP(EA), eV:

 -9.12(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (3R,6S)-3-(2-chloro-4-iodophenyl)-6-(cyclopropylsulfonylamino)-1-(1,3-thiazol-2-ylsulfanyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(C1=C2C[C@@H](CN2C(=N[C@H]1C3=C(C=C(C=C3)F)Br)C(=NC=C)SC)N4CCOC4=O)O

DOS

IR

Vibrations