Geometry & MOs

Info

ID:

323980

PubChem CID:

126676711

Reduced:

SN3O9C37H43 (1)

Stoich.:

AB3C9D37E43 (1)

Weight, g/mol:

446.235414

ΔHf, kcal/mol:

-349.42

Dipole, Da:

4.1

IP(EA), eV:

 -8.51(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(Z)-3-amino-2-[[2-(difluoromethoxy)-5-pyrrolidin-3-ylphenyl]methyliminomethyl]prop-2-enyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S[C@H]2[C@H](C([C@H](O2)CN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations