Geometry & MOs

Info

ID:	74188
PubChem CID:	48421565
Reduced:	N4O4C19H26 (1)
Stoich.:	A4B4C19D26 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	-142.16
Dipole, Da:	4.45
IP(EA), eV:	-8.63(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1CC1)C(=O)NC2=CC(=CC=C2)N3CCNC3=O

DOS

IR

Vibrations