Geometry & MOs

Info

ID:	239119
PubChem CID:	93166012
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-33.06
Dipole, Da:	3.36
IP(EA), eV:	-8.36(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-3-ethyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]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