Geometry & MOs

Info

ID:

422618

PubChem CID:

135118150

Reduced:

ClO2N3C18H20 (1)

Stoich.:

AB2C3D18E20 (1)

Weight, g/mol:

689.353697

ΔHf, kcal/mol:

15.4

Dipole, Da:

3.45

IP(EA), eV:

 -8.87(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(9S,12S,15R)-12-benzyl-24-methoxy-4,10,13,16-tetraoxo-15-propan-2-yl-2-oxa-5,11,14,17-tetrazabicyclo[19.3.1]pentacosa-1(24),21(25),22-trien-9-yl]-3-methylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)N3C[C@@H]4COC[C@H](C3)N(C4=O)C)Cl

DOS

IR

Vibrations