Geometry & MOs

Info

ID:

435082

PubChem CID:

135180090

Reduced:

Cl2N5O5C30H35 (1)

Stoich.:

A2B5C5D30E35 (1)

Weight, g/mol:

506.112375

ΔHf, kcal/mol:

-133.25

Dipole, Da:

5.32

IP(EA), eV:

 -8.47(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,4R)-4-[[3-(2,6-dichloro-3,5-dimethoxycyclohexa-2,4-dien-1-yl)-1-oxopyrano[4,3-c]pyridin-7-yl]amino]pyrrolidin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C3C=C(N=CC3=CC(=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl)N[C@@H]5COC[C@@H]5NC(=O)C=C)OC

DOS

IR

Vibrations