Geometry & MOs

Info

ID:	234248
PubChem CID:	92298010
Reduced:	SO3N6C28H28 (1)
Stoich.:	AB3C6D28E28 (1)
Weight, g/mol:	577.169622
ΔH_f, kcal/mol:	-23.96
Dipole, Da:	4.97
IP(EA), eV:	-8.84(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-quinolin-3-ylamino]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=CC=C4)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations