Geometry & MOs

Info

ID:

16587

PubChem CID:

473316

Reduced:

O3N4H21C22 (2)

Stoich.:

A3B4C21D22 (2)

Weight, g/mol:

778.322731

ΔHf, kcal/mol:

-95.08

Dipole, Da:

7.21

IP(EA), eV:

 -8.93(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[2-[(5-methylpyrazine-2-carbonyl)amino]benzoyl]amino]-1,6-diphenylhexan-2-yl]carbamoyl]phenyl]-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC2=CC=CC=C2C(=O)N[C@@H](CC3=CC=CC=C3)[C@H]([C@H]([C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5NC(=O)C6=NC=C(N=C6)C)O)O

DOS

IR

Vibrations