Geometry & MOs

Info

ID:

445377

PubChem CID:

135266624

Reduced:

O2S2N5C22H25 (1)

Stoich.:

A2B2C5D22E25 (1)

Weight, g/mol:

602.319911

ΔHf, kcal/mol:

78.53

Dipole, Da:

2.55

IP(EA), eV:

 -7.74(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(1E,3Z,5Z)-4-[2-aminoethyl-[3-(1-ethylpiperidin-4-yl)oxybutyl]amino]-1,3-difluorohepta-1,3,5-trien-2-yl]-5-(4-chlorophenyl)-1,2-dimethylpyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

CCN(CCN)C1=CC=C(C=C1)NSC2=CC(=C(C=C2)NSC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations