Geometry & MOs

Info

ID:

234536

PubChem CID:

92298628

Reduced:

SN4O6C28H30 (1)

Stoich.:

AB4C6D28E30 (1)

Weight, g/mol:

605.275053

ΔHf, kcal/mol:

-164.93

Dipole, Da:

9.16

IP(EA), eV:

 -8.22(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN(C2=CC3=CC=CC=C3N=C2)C(=O)C[S@](=O)CC(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations