Geometry & MOs

Info

ID:	347416
PubChem CID:	127272265
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-58.73
Dipole, Da:	4.46
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC(CC2NC(=O)N3CCC(CC3)C4=NC=CS4)(C)C

DOS

IR

Vibrations