Geometry & MOs

Info

ID:	449019
PubChem CID:	135295261
Reduced:	ON2C31H40 (1)
Stoich.:	AB2C31D40 (1)
Weight, g/mol:	377.131031
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	5.42
IP(EA), eV:	-8.02(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethynyl-1,3-benzothiazol-2-yl)amino]-N-(pyrrolidin-2-ylmethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=C)/C(=C(/C)\O)/C1=CC2=C(C(=CN2CC3(CCCCC3)C)C4=CC=C(C=C4)C(C)(C)C)N=C1

DOS

IR

Vibrations