Geometry & MOs

Info

ID:

429255

PubChem CID:

135169159

Reduced:

ClO3N7C25H26 (1)

Stoich.:

AB3C7D25E26 (1)

Weight, g/mol:

523.178646

ΔHf, kcal/mol:

-30.79

Dipole, Da:

4.11

IP(EA), eV:

 -8.99(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-(3-fluorophenyl)-2-N-methyl-4-oxoazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC(=CC=C1)Cl)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=NC=CC=N4

DOS

IR

Vibrations