Geometry & MOs

Info

ID:	345376
PubChem CID:	127269676
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	1.76
IP(EA), eV:	-8.13(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations