Geometry & MOs

Info

ID:	365387
PubChem CID:	127317786
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	5.3
IP(EA), eV:	-8.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

Drug info:

PubChemData

Smile

CC1CCC(C(C1)C)NC(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations