Geometry & MOs

Info

ID:	32621
PubChem CID:	7846989
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	410.166414
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	4.32
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC[C@@H](C)C1=CC=CC=C1NC(=O)[C@@H](C)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations