Geometry & MOs

Info

ID:	239097
PubChem CID:	93165979
Reduced:	ClSO2N3C23H26 (1)
Stoich.:	ABC2D3E23F26 (1)
Weight, g/mol:	405.208613
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	3.21
IP(EA), eV:	-8.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-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=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)C

DOS

IR

Vibrations