Geometry & MOs

Info

ID:

321303

PubChem CID:

126665746

Reduced:

FO2N6C29H29 (1)

Stoich.:

AB2C6D29E29 (1)

Weight, g/mol:

623.235554

ΔHf, kcal/mol:

19.19

Dipole, Da:

7.36

IP(EA), eV:

 -8.9(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(4-acetamidophenyl)-hydroxymethyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN(C1CC1)C(C2=CC=CC=C2)C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(=O)N

DOS

IR

Vibrations