Geometry & MOs

Info

ID:	137873
PubChem CID:	52276490
Reduced:	NSO3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	2.18
IP(EA), eV:	-9.71(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-pyridin-3-ylurea

Drug info:

PubChemData

Smile

C1CCC(C1)S(=O)(=O)CCC(=O)N[C@@H](C2CC2)C3=CC=CC=C3

DOS

IR

Vibrations