Geometry & MOs

Info

ID:

381503

PubChem CID:

134972260

Reduced:

N5O7C30H35 (1)

Stoich.:

A5B7C30D35 (1)

Weight, g/mol:

577.253648

ΔHf, kcal/mol:

-263.46

Dipole, Da:

2.13

IP(EA), eV:

 -8.58(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(6R)-6-[[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]-2,4-dioxo-3-phenyl-1,3-diazinan-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC[C@@H]3CC(=O)N(C(=O)N3CC(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations