Geometry & MOs

Info

ID:

414934

PubChem CID:

135087914

Reduced:

N5O8C38H51 (1)

Stoich.:

A5B8C38D51 (1)

Weight, g/mol:

381.168856

ΔHf, kcal/mol:

-345.14

Dipole, Da:

5.67

IP(EA), eV:

 -8.98(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)CCC4=CC5=C(C=C4)OCO5)C(C)C

DOS

IR

Vibrations