Geometry & MOs

Info

ID:	62438
PubChem CID:	26719719
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	404.119464
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	8.07
IP(EA), eV:	-8.3(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)-N-(4-methoxyphenyl)pent-4-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

DOS

IR

Vibrations