Geometry & MOs

Info

ID:

327379

PubChem CID:

126689742

Reduced:

F3O4N5C35H38 (1)

Stoich.:

A3B4C5D35E38 (1)

Weight, g/mol:

633.292675

ΔHf, kcal/mol:

-234.0

Dipole, Da:

4.01

IP(EA), eV:

 -9.06(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[[2-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]-(4-methylphenyl)methyl]-N-(cyclopropylmethyl)carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=CC=CC=C4)NC(CC5CC5)O

DOS

IR

Vibrations