Geometry & MOs

Info

ID:	32406
PubChem CID:	7785949
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	370.086152
ΔH_f, kcal/mol:	-108.84
Dipole, Da:	5.04
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[3-[[(2S)-6-methyl-2,3-dihydro-1,3-benzothiazol-2-yl]amino]-3-oxopropanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)COC(=O)C2=CC=CC(=C2)C

DOS

IR

Vibrations