Geometry & MOs

Info

ID:	41471
PubChem CID:	8145933
Reduced:	SO2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	406.109962
ΔH_f, kcal/mol:	59.0
Dipole, Da:	7.91
IP(EA), eV:	-9.07(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=CS2)NCC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations