Geometry & MOs

Info

ID:	370006
PubChem CID:	127337127
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	349.166251
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	8.92
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-3-[(4-methylmorpholin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)NCC3CN(CCO3)C

DOS

IR

Vibrations