Geometry & MOs

Info

ID:

424988

PubChem CID:

135124727

Reduced:

SO5N6C38H44 (1)

Stoich.:

AB5C6D38E44 (1)

Weight, g/mol:

527.300873

ΔHf, kcal/mol:

-98.95

Dipole, Da:

6.2

IP(EA), eV:

 -9.24(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[3-[[2-(cycloheptylmethyl)imidazol-1-yl]methyl]phenyl]-5-[2-(1-methyltriazol-4-yl)cyclopropyl]pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)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(C(=O)C=C6)C)C

DOS

IR

Vibrations