Geometry & MOs

Info

ID:	371066
PubChem CID:	127342260
Reduced:	FSN3O4C18H26 (1)
Stoich.:	ABC3D4E18F26 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-197.76
Dipole, Da:	3.17
IP(EA), eV:	-9.14(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-2-oxopyrrolidin-3-yl)-3-(2-oxoazepan-3-yl)urea

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)C(=O)NCC(C2=CC(=CC=C2)F)N3CCOCC3

DOS

IR

Vibrations