Geometry & MOs

Info

ID:	239122
PubChem CID:	93166018
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	405.190855
ΔH_f, kcal/mol:	-62.66
Dipole, Da:	4.84
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations