Geometry & MOs

Info

ID:	239114
PubChem CID:	93166005
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-48.04
Dipole, Da:	5.01
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-ethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2)C(=O)NCC

DOS

IR

Vibrations