Geometry & MOs

Info

ID:	185378
PubChem CID:	77292042
Reduced:	OCl2N3C27H27 (1)
Stoich.:	AB2C3D27E27 (1)
Weight, g/mol:	549.190912
ΔH_f, kcal/mol:	5.08
Dipole, Da:	4.02
IP(EA), eV:	-9.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclopentylsulfonylphenyl)-4-(3-phenylmethoxybutan-2-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)N2CCC3=CC=CC=C3C2)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations