Geometry & MOs

Info

ID:	239098
PubChem CID:	93165981
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	405.208613
ΔH_f, kcal/mol:	-100.62
Dipole, Da:	2.91
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC=C2OC)C(=O)NC(C)(C)C

DOS

IR

Vibrations