Geometry & MOs

Info

ID:	345343
PubChem CID:	127269622
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-125.33
Dipole, Da:	0.9
IP(EA), eV:	-8.2(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-[(1,1-dioxothiolan-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)NC2=CC3=C(C=C2)OCCC3

DOS

IR

Vibrations