Geometry & MOs

Info

ID:	239106
PubChem CID:	93165990
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	3.47
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-3-tert-butyl-1-[[2-[(3-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)OC)C(=O)NCC

DOS

IR

Vibrations