Geometry & MOs

Info

ID:	161683
PubChem CID:	57392319
Reduced:	N7O7C33H43 (1)
Stoich.:	A7B7C33D43 (1)
Weight, g/mol:	394.089975
ΔH_f, kcal/mol:	-287.94
Dipole, Da:	5.26
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCNC(=O)C[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C1)C(=O)N)CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=C(C=C4)O)N

DOS

IR

Vibrations