Geometry & MOs

Info

ID:	234661
PubChem CID:	92303260
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	376.166604
ΔH_f, kcal/mol:	-10.45
Dipole, Da:	3.51
IP(EA), eV:	-9.22(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-3-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=NC=CN2CC3=CC=CC=C3Cl)C(=O)C4=CC=CS4

DOS

IR

Vibrations