Geometry & MOs

Info

ID:	270690
PubChem CID:	103637704
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	230.070069
ΔH_f, kcal/mol:	-116.45
Dipole, Da:	4.68
IP(EA), eV:	-9.11(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-1-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]urea

Drug info:

PubChemData

Smile

CCN(C)C(=O)NCC(C)(C)C(=O)N

DOS

IR

Vibrations