Geometry & MOs

Info

ID:	239028
PubChem CID:	93165886
Reduced:	BrSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-15.69
Dipole, Da:	5.67
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-2-methoxy-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC1=CSC(=N1)COC2=CC=C(C=C2)C)C(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations