Geometry & MOs

Info

ID:	239123
PubChem CID:	93166019
Reduced:	OS2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	405.190855
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	6.3
IP(EA), eV:	-8.16(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-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)C)C(=S)NCC

DOS

IR

Vibrations