Geometry & MOs

Info

ID:	49987
PubChem CID:	11538610
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	33.88
Dipole, Da:	6.84
IP(EA), eV:	-8.47(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[3-[2-(propan-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]phenyl]urea

Drug info:

PubChemData

Smile

COCCNCC1=CC(=C(N=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C#N

DOS

IR

Vibrations