Geometry & MOs

Info

ID:	74115
PubChem CID:	48421480
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	333.114713
ΔH_f, kcal/mol:	-137.32
Dipole, Da:	4.3
IP(EA), eV:	-8.66(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1,3-benzothiazol-2-ylcarbamoyl(cyclopropyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=CC(=CC=C2)N3CCNC3=O

DOS

IR

Vibrations