Geometry & MOs

Info

ID:

321270

PubChem CID:

126665641

Reduced:

SF4O4N7C34H35 (1)

Stoich.:

AB4C4D7E34F35 (1)

Weight, g/mol:

625.26646

ΔHf, kcal/mol:

-202.63

Dipole, Da:

3.67

IP(EA), eV:

 -8.29(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[(cyclopropylmethylamino)-(3-phenylmethoxyphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)NC(CCC1CC1)(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC(=CC=C4)N(C=N)C(=O)O)C(F)(F)F)C5=CN=CC=C5

DOS

IR

Vibrations