Geometry & MOs

Info

ID:

448937

PubChem CID:

135294595

Reduced:

OSN8C26H30 (1)

Stoich.:

ABC8D26E30 (1)

Weight, g/mol:

691.387974

ΔHf, kcal/mol:

80.86

Dipole, Da:

5.4

IP(EA), eV:

 -8.29(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (6S)-7-[[(E)-3-amino-2-[[4-[4-[[(2-tert-butyl-1,3-thiazole-5-carbonyl)amino]methyl]-3-methylphenyl]pyrimidin-2-yl]amino]prop-2-enylidene]amino]-6-propoxyheptanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(S1)C(=O)NC2CCN(C3=C2C=CC(=C3)C4=NC(=NC=C4)NC5=CN(N=C5)C)C

DOS

IR

Vibrations