Geometry & MOs

Info

ID:	431805
PubChem CID:	135171911
Reduced:	SN3O3C21H35 (1)
Stoich.:	AB3C3D21E35 (1)
Weight, g/mol:	468.273656
ΔH_f, kcal/mol:	-131.2
Dipole, Da:	4.41
IP(EA), eV:	-8.23(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-[(5-carbamoylpyridin-2-yl)amino]-4-[cyclohexyl(2-methylpropyl)amino]phenyl]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)S(=O)C)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations