Geometry & MOs

Info

ID:

316130

PubChem CID:

126630166

Reduced:

SCl2F3N4O16C57H81 (1)

Stoich.:

AB2C3D4E16F57G81 (1)

Weight, g/mol:

519.284555

ΔHf, kcal/mol:

-809.0

Dipole, Da:

13.34

IP(EA), eV:

 -8.72(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-[[2-[3-[6-[(1R)-1-hydroxyethyl]isoquinolin-3-yl]phenyl]-2-methylpropanoyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC1=NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=C1)NC5CCN(CC5)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations