Geometry & MOs

Info

ID:	363249
PubChem CID:	127310390
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	391.115519
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	6.16
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)NCCC3=CSC(=N3)C(C)C

DOS

IR

Vibrations