Geometry & MOs

Info

ID:	365388
PubChem CID:	127317787
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	4.85
IP(EA), eV:	-8.17(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(3,4-dihydro-2H-chromen-6-yl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3SC)OCCO4

DOS

IR

Vibrations