Geometry & MOs

Info

ID:	368351
PubChem CID:	127328021
Reduced:	OSN5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	4.57
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(3,4-dihydro-2H-chromen-4-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NSC(=N1)NC(=O)N2CCCC2CN3CCCC3

DOS

IR

Vibrations