Geometry & MOs

Info

ID:

334818

PubChem CID:

127253493

Reduced:

N3O5C29H39 (1)

Stoich.:

A3B5C29D39 (1)

Weight, g/mol:

683.368284

ΔHf, kcal/mol:

-202.57

Dipole, Da:

8.99

IP(EA), eV:

 -8.94(-0.61)

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-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]pentanamide

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(CC(=O)OC)C2=C(C=C(N(C2=O)CCC3=CN=CN3)C)O

DOS

IR

Vibrations