Geometry & MOs

Info

ID:	234250
PubChem CID:	92298020
Reduced:	FSO3N6C31H31 (1)
Stoich.:	ABC3D6E31F31 (1)
Weight, g/mol:	611.264488
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	7.8
IP(EA), eV:	-8.85(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-benzyl-2-(4-morpholin-4-ylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C2=NSC(=C2N)C(=O)N(C3=CC=C(C=C3)F)[C@H](C4=CC=NC=C4)C(=O)NCC5=CC=CC=C5

DOS

IR

Vibrations