Geometry & MOs

Info

ID:

321415

PubChem CID:

126665976

Reduced:

ClSN4O4H17C20 (1)

Stoich.:

ABC4D4E17F20 (1)

Weight, g/mol:

635.271939

ΔHf, kcal/mol:

-33.41

Dipole, Da:

3.03

IP(EA), eV:

 -9.49(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[3-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-2-hydroxycyclopropyl]-N-(2-phenylethyl)carbamate

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=O)N(N=C2C3=CC(=CC=C3)S(=O)(=O)N)C(C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations