Geometry & MOs

Info

ID:	321359
PubChem CID:	126665869
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	600.234825
ΔH_f, kcal/mol:	-33.91
Dipole, Da:	1.81
IP(EA), eV:	-8.45(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(aminomethyl)phenyl]-N-[3-[cyclopropylmethoxy-(2-methoxynaphthalen-1-yl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N=C(CCC1CC1)C2=CN=C(C=C2)C(=O)N

DOS

IR

Vibrations