Geometry & MOs

Info

ID:	239118
PubChem CID:	93166011
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	423.198048
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	5.08
IP(EA), eV:	-8.24(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-1-[[2-[(4-methylphenoxy)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=C(C=C2)C)C(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations