Geometry & MOs

Info

ID:	239096
PubChem CID:	93165978
Reduced:	ClSO2N3C19H26 (1)
Stoich.:	ABC2D3E19F26 (1)
Weight, g/mol:	443.143426
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	2.77
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=C(C=C2)Cl)C(=O)NC(C)C

DOS

IR

Vibrations