Geometry & MOs

Info

ID:

334729

PubChem CID:

127253404

Reduced:

N3O4C25H29 (1)

Stoich.:

A3B4C25D29 (1)

Weight, g/mol:

698.313806

ΔHf, kcal/mol:

-123.55

Dipole, Da:

6.2

IP(EA), eV:

 -9.06(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-10-[[(2S,3R)-1-[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)CCCN1C2C3=CC=CC=C3C(=O)N2C4=CC=CC=C4C1=O

DOS

IR

Vibrations