Geometry & MOs

Info

ID:

334428

PubChem CID:

127252980

Reduced:

ON2H8C11 (2)

Stoich.:

AB2C8D11 (2)

Weight, g/mol:

640.300933

ΔHf, kcal/mol:

41.97

Dipole, Da:

4.31

IP(EA), eV:

 -8.88(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-3-methyl-N-[3-(1,2,4-triazol-4-yl)phenyl]pentanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNC5=NC=CC=N5

DOS

IR

Vibrations