Geometry & MOs

Info

ID:

449903

PubChem CID:

135302411

Reduced:

N4O4C32H37 (2)

Stoich.:

A4B4C32D37 (2)

Weight, g/mol:

537.223686

ΔHf, kcal/mol:

-309.72

Dipole, Da:

7.42

IP(EA), eV:

 -8.28(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[4-[(R)-(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]pyridin-4-yl]-1,3-benzoxazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NC1=C(C=CC2=C1C=C(C=C2)C3=CC4=CC=CC=C4C(=C3)NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)CC(C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](C)CC(=O)NC5=CC=CC6=CC=CC=C65)NC(=O)CCC7=CC=CC=C7)N

DOS

IR

Vibrations