Geometry & MOs

Info

ID:	321367
PubChem CID:	126665894
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	669.256289
ΔH_f, kcal/mol:	-5.53
Dipole, Da:	5.93
IP(EA), eV:	-8.64(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-[[3-[[[cyclopropyl-(3-phenylmethoxyphenyl)methyl]amino]methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCCC1CN2C=C(C=N2)C3=C4C=CNC4=NC=C3

DOS

IR

Vibrations