Geometry & MOs

Info

ID:	311953
PubChem CID:	126599435
Reduced:	ON4C16H19 (2)
Stoich.:	AB4C16D19 (2)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	54.31
Dipole, Da:	4.01
IP(EA), eV:	-8.78(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-2-(2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid

Drug info:

PubChemData

Smile

CCCN(CC1=NC=C(N1)C2=NC=C(O2)C3=CC=CC(=C3)C4=CN=C(N4)[C@H](C)NC)C(=O)[C@@H](C5=CC=CC=C5)N(C)C

DOS

IR

Vibrations