Geometry & MOs

Info

ID:

424663

PubChem CID:

135123544

Reduced:

SO4N7C36H43 (1)

Stoich.:

AB4C7D36E43 (1)

Weight, g/mol:

352.153541

ΔHf, kcal/mol:

-35.22

Dipole, Da:

8.03

IP(EA), eV:

 -8.32(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[3-(hydroxymethyl)phenyl]-2-[(1R,2R)-2-(1-methyltriazol-4-yl)cyclopropyl]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1CN(S(C2=CC=CC=C2O1)(O)O)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)NC(=O)C6=CN=CN=C6)C

DOS

IR

Vibrations