Geometry & MOs

Info

ID:	239127
PubChem CID:	93166023
Reduced:	OS2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	458.169785
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	7.22
IP(EA), eV:	-8.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-N-[[2-[(3,5-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CSC(=N1)COC2=CC=CC(=C2C)C)C(=S)NCC

DOS

IR

Vibrations