Geometry & MOs

Info

ID:

421352

PubChem CID:

135115824

Reduced:

O2N4C21H24 (1)

Stoich.:

A2B4C21D24 (1)

Weight, g/mol:

660.279529

ΔHf, kcal/mol:

-19.28

Dipole, Da:

3.86

IP(EA), eV:

-8.84(-0.74)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations