Geometry & MOs

Info

ID:

334866

PubChem CID:

127253672

Reduced:

NO8H23C26 (1)

Stoich.:

AB8C23D26 (1)

Weight, g/mol:

589.278801

ΔHf, kcal/mol:

-279.37

Dipole, Da:

6.3

IP(EA), eV:

 -9.28(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC(=C(C=C4)O)C(=O)C)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations