Geometry & MOs

Info

ID:

220221

PubChem CID:

85165378

Reduced:

N7O8C33H53 (1)

Stoich.:

A7B8C33D53 (1)

Weight, g/mol:

675.309055

ΔHf, kcal/mol:

-386.75

Dipole, Da:

3.05

IP(EA), eV:

 -9.6(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-3-[3-[[2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylbutanoyl]amino]-2-oxo-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NN)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations