Geometry & MOs

Info

ID:

80737

PubChem CID:

49836627

Reduced:

FSN4O6C30H35 (1)

Stoich.:

ABC4D6E30F35 (1)

Weight, g/mol:

516.193961

ΔHf, kcal/mol:

-252.7

Dipole, Da:

9.59

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[(4Z)-4-[2-[benzyl(methyl)amino]-1-(3-methoxypropylamino)ethylidene]-1-(2-chloro-4-fluorophenyl)-5-oxopyrazol-3-yl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations