Geometry & MOs

Info

ID:	239112
PubChem CID:	93166002
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	437.213698
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	4.74
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=O)NC(C)C

DOS

IR

Vibrations