Geometry & MOs

Info

ID:	335708
PubChem CID:	127254570
Reduced:	ON2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	388.102768
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	3.55
IP(EA), eV:	-8.73(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(6-acetamido-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=CC3=C(C=C2)N=C(N3)CO

DOS

IR

Vibrations