Geometry & MOs

Info

ID:	41622
PubChem CID:	8146607
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	396.089226
ΔH_f, kcal/mol:	-6.3
Dipole, Da:	5.69
IP(EA), eV:	-9.05(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(benzotriazol-1-yl)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)CN2C3=CC=CC=C3C(=O)C2=O

DOS

IR

Vibrations