Geometry & MOs

Info

ID:	336219
PubChem CID:	127255226
Reduced:	ClN3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	395.052897
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	3.63
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations