Geometry & MOs

Info

ID:

429203

PubChem CID:

135169050

Reduced:

O3N8C24H32 (1)

Stoich.:

A3B8C24D32 (1)

Weight, g/mol:

746.298346

ΔHf, kcal/mol:

-59.18

Dipole, Da:

2.6

IP(EA), eV:

 -8.91(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[[2-[bis[(4-methoxyphenyl)methyl]amino]pyridin-4-yl]methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=NC=NC=N4

DOS

IR

Vibrations