Geometry & MOs

Info

ID:	352212
PubChem CID:	127283294
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	336.123167
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	9.44
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCNC(=O)N(C)CC2=NC(=O)C3=C(N2)C=CS3

DOS

IR

Vibrations