Geometry & MOs

Info

ID:	359280
PubChem CID:	127297877
Reduced:	O2S2N3C17H21 (1)
Stoich.:	A2B2C3D17E21 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	3.75
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-6-yl)-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SC2=NC(=CS2)C)NC(=O)NC3CCCOC3

DOS

IR

Vibrations