Geometry & MOs

Info

ID:	426418
PubChem CID:	135143965
Reduced:	N3O9C22H29 (1)
Stoich.:	A3B9C22D29 (1)
Weight, g/mol:	464.185767
ΔH_f, kcal/mol:	-335.95
Dipole, Da:	8.5
IP(EA), eV:	-9.79(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfanylphenyl]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

COCC(=O)NCCOCCOCCOC1=CC=CC2=C1C(=O)N(C2=O)C(CCC=O)C(=O)N

DOS

IR

Vibrations