Geometry & MOs

Info

ID:

392911

PubChem CID:

135018424

Reduced:

N3O3C16H25 (1)

Stoich.:

A3B3C16D25 (1)

Weight, g/mol:

583.239244

ΔHf, kcal/mol:

-120.41

Dipole, Da:

6.34

IP(EA), eV:

 -9.43(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S,2R,11S,14S)-7,20-dimethoxy-14-methyl-16-(4-methylphenyl)sulfonyl-16-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosa-5(10),6,8,15(23),17(22),18,20-heptaen-21-yl]acetaldehyde

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@H](CCCCN)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations