Geometry & MOs

Info

ID:

429278

PubChem CID:

135169191

Reduced:

ClO4N6C28H35 (1)

Stoich.:

AB4C6D28E35 (1)

Weight, g/mol:

656.240163

ΔHf, kcal/mol:

-134.81

Dipole, Da:

5.35

IP(EA), eV:

 -9.3(-0.64)

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-[[(1R)-1-(3-chlorophenyl)propyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H](C1CCCC(C1)Cl)NC(=O)N2[C@@H]([C@@H](C2=O)CC3=CC(=NC=C3)NC(=O)C)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations