Geometry & MOs

Info

ID:

45125

PubChem CID:

10508192

Reduced:

S2N3O7C31H35 (1)

Stoich.:

A2B3C7D31E35 (1)

Weight, g/mol:

625.337653

ΔHf, kcal/mol:

-248.69

Dipole, Da:

10.41

IP(EA), eV:

 -9.07(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(2S)-3-(1H-imidazol-5-yl)-1-[methyl-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCC(=O)NCC1=C(SC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3SC)CC(=O)OCC)C4=CC=C(C=C4)OCOC

DOS

IR

Vibrations